CID 445736
5'-o-(l-serylsulfamoyl)adenosine
Structural Information
- Molecular Formula
- C13H19N7O8S
- SMILES
- C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N
- InChI
- InChI=1S/C13H19N7O8S/c14-5(1-21)12(24)19-29(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
- InChIKey
- HQXFJGONGJPTLZ-YTMOPEAISA-N
- Compound name
- [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[(2S)-2-amino-3-hydroxypropanoyl]sulfamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 434.10888 | 188.6 |
[M+Na]+ | 456.09082 | 194.1 |
[M-H]- | 432.09432 | 189.1 |
[M+NH4]+ | 451.13542 | 193.1 |
[M+K]+ | 472.06476 | 193.2 |
[M+H-H2O]+ | 416.09886 | 182.2 |
[M+HCOO]- | 478.09980 | 198.0 |
[M+CH3COO]- | 492.11545 | 225.1 |
[M+Na-2H]- | 454.07627 | 189.8 |
[M]+ | 433.10105 | 191.4 |
[M]- | 433.10215 | 191.4 |