CID 134814780
G2-ste16 and tenofovir
Structural Information
- Molecular Formula
- C256H524N48O64S16Si29
- SMILES
- C[Si](C)(CCCCN1C=C(N=N1)CCOS(=O)(=O)O)CCC[Si](C)(CCC[Si](C)(C)CCCCN2C=C(N=N2)CCOS(=O)(=O)O)CCC[Si](C)(CCC[Si](C)(CCC[Si](C)(C)CCCCN3C=C(N=N3)CCOS(=O)(=O)O)CCC[Si](C)(C)CCCCN4C=C(N=N4)CCOS(=O)(=O)O)CCC[Si](CCC[Si](C)(CCC[Si](C)(CCC[Si](C)(C)CCCCN5C=C(N=N5)CCOS(=O)(=O)O)CCC[Si](C)(C)CCCCN6C=C(N=N6)CCOS(=O)(=O)O)CCC[Si](C)(CCC[Si](C)(C)CCCCN7C=C(N=N7)CCOS(=O)(=O)O)CCC[Si](C)(C)CCCCN8C=C(N=N8)CCOS(=O)(=O)O)(CCC[Si](C)(CCC[Si](C)(CCC[Si](C)(C)CCCCN9C=C(N=N9)CCOS(=O)(=O)O)CCC[Si](C)(C)CCCCN1C=C(N=N1)CCOS(=O)(=O)O)CCC[Si](C)(CCC[Si](C)(C)CCCCN1C=C(N=N1)CCOS(=O)(=O)O)CCC[Si](C)(C)CCCCN1C=C(N=N1)CCOS(=O)(=O)O)CCC[Si](C)(CCC[Si](C)(CCC[Si](C)(C)CCCCN1C=C(N=N1)CCOS(=O)(=O)O)CCC[Si](C)(C)CCCCN1C=C(N=N1)CCOS(=O)(=O)O)CCC[Si](C)(CCC[Si](C)(C)CCCCN1C=C(N=N1)CCOS(=O)(=O)O)CCC[Si](C)(C)CCCCN1C=C(N=N1)CCOS(=O)(=O)O
- InChI
- InChI=1S/C256H524N48O64S16Si29/c1-385(2,153-61-45-121-289-225-241(257-273-289)105-137-353-369(305,306)307)169-77-185-401(33,186-78-170-386(3,4)154-62-46-122-290-226-242(258-274-290)106-138-354-370(308,309)310)201-93-209-409(41,210-94-202-402(34,187-79-171-387(5,6)155-63-47-123-291-227-243(259-275-291)107-139-355-371(311,312)313)188-80-172-388(7,8)156-64-48-124-292-228-244(260-276-292)108-140-356-372(314,315)316)217-101-221-413(222-102-218-410(42,211-95-203-403(35,189-81-173-389(9,10)157-65-49-125-293-229-245(261-277-293)109-141-357-373(317,318)319)190-82-174-390(11,12)158-66-50-126-294-230-246(262-278-294)110-142-358-374(320,321)322)212-96-204-404(36,191-83-175-391(13,14)159-67-51-127-295-231-247(263-279-295)111-143-359-375(323,324)325)192-84-176-392(15,16)160-68-52-128-296-232-248(264-280-296)112-144-360-376(326,327)328,223-103-219-411(43,213-97-205-405(37,193-85-177-393(17,18)161-69-53-129-297-233-249(265-281-297)113-145-361-377(329,330)331)194-86-178-394(19,20)162-70-54-130-298-234-250(266-282-298)114-146-362-378(332,333)334)214-98-206-406(38,195-87-179-395(21,22)163-71-55-131-299-235-251(267-283-299)115-147-363-379(335,336)337)196-88-180-396(23,24)164-72-56-132-300-236-252(268-284-300)116-148-364-380(338,339)340)224-104-220-412(44,215-99-207-407(39,197-89-181-397(25,26)165-73-57-133-301-237-253(269-285-301)117-149-365-381(341,342)343)198-90-182-398(27,28)166-74-58-134-302-238-254(270-286-302)118-150-366-382(344,345)346)216-100-208-408(40,199-91-183-399(29,30)167-75-59-135-303-239-255(271-287-303)119-151-367-383(347,348)349)200-92-184-400(31,32)168-76-60-136-304-240-256(272-288-304)120-152-368-384(350,351)352/h225-240H,45-224H2,1-44H3,(H,305,306,307)(H,308,309,310)(H,311,312,313)(H,314,315,316)(H,317,318,319)(H,320,321,322)(H,323,324,325)(H,326,327,328)(H,329,330,331)(H,332,333,334)(H,335,336,337)(H,338,339,340)(H,341,342,343)(H,344,345,346)(H,347,348,349)(H,350,351,352)
- InChIKey
- NJTOVITYVGSZEN-UHFFFAOYSA-N
- Compound name
- 2-[1-[4-[3-[3-[3-[bis[3-[dimethyl-[4-[4-(2-sulfooxyethyl)triazol-1-yl]butyl]silyl]propyl]-methylsilyl]propyl-methyl-[3-[tris[3-[bis[3-[bis[3-[dimethyl-[4-[4-(2-sulfooxyethyl)triazol-1-yl]butyl]silyl]propyl]-methylsilyl]propyl]-methylsilyl]propyl]silyl]propyl]silyl]propyl-[3-[dimethyl-[4-[4-(2-sulfooxyethyl)triazol-1-yl]butyl]silyl]propyl]-methylsilyl]propyl-dimethylsilyl]butyl]triazol-4-yl]ethyl hydrogen sulfate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6619.8139 | 311.5 |
[M+Na]+ | 6641.7958 | 311.5 |
[M-H]- | 6617.7993 | 311.5 |
[M+NH4]+ | 6636.8404 | 311.5 |
[M+K]+ | 6657.7698 | 311.5 |
[M+H-H2O]+ | 6601.8039 | 311.5 |
[M+HCOO]- | 6663.8048 | 311.5 |
[M+CH3COO]- | 6677.8205 | 311.5 |
[M+Na-2H]- | 6639.7813 | 311.5 |
[M]+ | 6618.8061 | 311.5 |
[M]- | 6618.8071 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.