CID 16186137

Se-dc28

Structural Information

Molecular Formula
C252H310N84O139P27Se27
SMILES
C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(OC3CC(OC3COP(=O)(OC4CC(OC4COP(=O)(OC5CC(OC5COP(=O)(OC6CC(OC6COP(=O)(OC7CC(OC7COP(=O)(OC8CC(OC8COP(=O)(OC9CC(OC9COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1CO)N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])N1C=CC(=NC1=O)N)[Se])O
InChI
InChI=1S/C252H310N84O139P27Se27/c253-169-1-29-309(225(339)281-169)197-57-113(338)142(422-197)86-394-476(367,503)450-115-59-199(311-31-3-171(255)283-227(311)341)424-144(115)88-396-478(369,505)452-117-61-201(313-33-5-173(257)285-229(313)343)426-146(117)90-398-480(371,507)454-119-63-203(315-35-7-175(259)287-231(315)345)428-148(119)92-400-482(373,509)456-121-65-205(317-37-9-177(261)289-233(317)347)430-150(121)94-402-484(375,511)458-123-67-207(319-39-11-179(263)291-235(319)349)432-152(123)96-404-486(377,513)460-125-69-209(321-41-13-181(265)293-237(321)351)434-154(125)98-406-488(379,515)462-127-71-211(323-43-15-183(267)295-239(323)353)436-156(127)100-408-490(381,517)464-129-73-213(325-45-17-185(269)297-241(325)355)438-158(129)102-410-492(383,519)466-131-75-215(327-47-19-187(271)299-243(327)357)440-160(131)104-412-494(385,521)468-133-77-217(329-49-21-189(273)301-245(329)359)442-162(133)106-414-496(387,523)470-135-79-219(331-51-23-191(275)303-247(331)361)444-164(135)108-416-498(389,525)472-137-81-221(333-53-25-193(277)305-249(333)363)446-166(137)110-418-500(391,527)474-139-83-223(335-55-27-195(279)307-251(335)365)448-168(139)112-420-502(393,529)475-140-84-224(336-56-28-196(280)308-252(336)366)447-167(140)111-419-501(392,528)473-138-82-222(334-54-26-194(278)306-250(334)364)445-165(138)109-417-499(390,526)471-136-80-220(332-52-24-192(276)304-248(332)362)443-163(136)107-415-497(388,524)469-134-78-218(330-50-22-190(274)302-246(330)360)441-161(134)105-413-495(386,522)467-132-76-216(328-48-20-188(272)300-244(328)358)439-159(132)103-411-493(384,520)465-130-74-214(326-46-18-186(270)298-242(326)356)437-157(130)101-409-491(382,518)463-128-72-212(324-44-16-184(268)296-240(324)354)435-155(128)99-407-489(380,516)461-126-70-210(322-42-14-182(266)294-238(322)352)433-153(126)97-405-487(378,514)459-124-68-208(320-40-12-180(264)292-236(320)350)431-151(124)95-403-485(376,512)457-122-66-206(318-38-10-178(262)290-234(318)348)429-149(122)93-401-483(374,510)455-120-64-204(316-36-8-176(260)288-232(316)346)427-147(120)91-399-481(372,508)453-118-62-202(314-34-6-174(258)286-230(314)344)425-145(118)89-397-479(370,506)451-116-60-200(312-32-4-172(256)284-228(312)342)423-143(116)87-395-477(368,504)449-114-58-198(421-141(114)85-337)310-30-2-170(254)282-226(310)340/h1-56,113-168,197-224,337-338H,57-112H2,(H2,253,281,339)(H2,254,282,340)(H2,255,283,341)(H2,256,284,342)(H2,257,285,343)(H2,258,286,344)(H2,259,287,345)(H2,260,288,346)(H2,261,289,347)(H2,262,290,348)(H2,263,291,349)(H2,264,292,350)(H2,265,293,351)(H2,266,294,352)(H2,267,295,353)(H2,268,296,354)(H2,269,297,355)(H2,270,298,356)(H2,271,299,357)(H2,272,300,358)(H2,273,301,359)(H2,274,302,360)(H2,275,303,361)(H2,276,304,362)(H2,277,305,363)(H2,278,306,364)(H2,279,307,365)(H2,280,308,366)
InChIKey
FMUZDOGKUUYXNT-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

9730.015 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 9731.0223 311.5
[M+Na]+ 9753.0042 311.5
[M-H]- 9729.0077 311.5
[M+NH4]+ 9748.0488 311.5
[M+K]+ 9768.9782 311.5
[M+H-H2O]+ 9713.0123 311.5
[M+HCOO]- 9775.0132 311.5
[M+CH3COO]- 9789.0289 311.5
[M+Na-2H]- 9750.9897 311.5
[M]+ 9730.0145 311.5
[M]- 9730.0155 311.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.