CID 16197453
Octyldecylamino-p-tccgcttcttcctgccata
Structural Information
- Molecular Formula
- C200H274N59O119P19
- SMILES
- CCCCCCCCCCCCCCCCCCNP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)OP(=O)(O)OCC3C(CC(O3)N4C=CC(=NC4=O)N)OP(=O)(O)OCC5C(CC(O5)N6C=CC(=NC6=O)N)OP(=O)(O)OCC7C(CC(O7)N8C=NC9=C8N=C(NC9=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C200H274N59O119P19/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33-221-379(285,286)323-69-120-109(51-155(351-120)249-61-93(2)175(261)234-194(249)278)369-389(305,306)328-73-124-101(43-147(346-124)241-34-25-138(201)222-186(241)270)361-381(289,290)327-72-123-108(50-154(345-123)248-41-32-145(208)229-193(248)277)368-388(303,304)340-85-136-117(59-163(359-136)258-91-219-167-173(258)230-184(211)232-182(167)268)377-395(317,318)332-77-128-106(48-152(350-128)246-39-30-143(206)227-191(246)275)366-386(299,300)334-80-131-114(56-160(354-131)254-66-98(7)180(266)239-199(254)283)374-393(313,314)337-83-134-112(54-158(357-134)252-64-96(5)178(264)237-197(252)281)372-391(309,310)330-75-126-105(47-151(348-126)245-38-29-142(205)226-190(245)274)365-385(297,298)333-79-130-113(55-159(353-130)253-65-97(6)179(265)238-198(253)282)373-392(311,312)336-82-133-111(53-157(356-133)251-63-95(4)177(263)236-196(251)280)371-390(307,308)329-74-125-102(44-148(347-125)242-35-26-139(202)223-187(242)271)362-382(291,292)325-70-121-104(46-150(343-121)244-37-28-141(204)225-189(244)273)364-384(295,296)335-81-132-115(57-161(355-132)255-67-99(8)181(267)240-200(255)284)375-394(315,316)341-86-137-118(60-164(360-137)259-92-220-168-174(259)231-185(212)233-183(168)269)378-396(319,320)331-76-127-103(45-149(349-127)243-36-27-140(203)224-188(243)272)363-383(293,294)326-71-122-107(49-153(344-122)247-40-31-144(207)228-192(247)276)367-387(301,302)339-84-135-116(58-162(358-135)257-90-218-166-170(210)214-88-216-172(166)257)376-397(321,322)338-78-129-110(52-156(352-129)250-62-94(3)176(262)235-195(250)279)370-380(287,288)324-68-119-100(260)42-146(342-119)256-89-217-165-169(209)213-87-215-171(165)256/h25-32,34-41,61-67,87-92,100-137,146-164,260H,9-24,33,42-60,68-86H2,1-8H3,(H,287,288)(H,289,290)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H2,201,222,270)(H2,202,223,271)(H2,203,224,272)(H2,204,225,273)(H2,205,226,274)(H2,206,227,275)(H2,207,228,276)(H2,208,229,277)(H2,209,213,215)(H2,210,214,216)(H2,221,285,286)(H,234,261,278)(H,235,262,279)(H,236,263,280)(H,237,264,281)(H,238,265,282)(H,239,266,283)(H,240,267,284)(H3,211,230,232,268)(H3,212,231,233,269)
- InChIKey
- OUICLAVTTRTAEM-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-octadecylphosphonamidic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5995.2290 | 311.6 |
[M+Na]+ | 6017.2109 | 311.6 |
[M-H]- | 5993.2144 | 311.6 |
[M+NH4]+ | 6012.2555 | 311.6 |
[M+K]+ | 6033.1849 | 311.6 |
[M+H-H2O]+ | 5977.2190 | 311.6 |
[M+HCOO]- | 6039.2199 | 311.6 |
[M+CH3COO]- | 6053.2356 | 311.6 |
[M+Na-2H]- | 6015.1964 | 311.6 |
[M]+ | 5994.2212 | 311.6 |
[M]- | 5994.2222 | 311.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.