CID 135499495
Ddi-5'-opo2sh2 gly deriv.
Structural Information
- Molecular Formula
- C16H23N6O7PS
- SMILES
- CNC(=O)CSP(=O)(NCC(=O)OC)OC[C@@H]1CC[C@@H](O1)N2C=NC3=C2N=CNC3=O
- InChI
- InChI=1S/C16H23N6O7PS/c1-17-11(23)7-31-30(26,21-5-13(24)27-2)28-6-10-3-4-12(29-10)22-9-20-14-15(22)18-8-19-16(14)25/h8-10,12H,3-7H2,1-2H3,(H,17,23)(H,21,26)(H,18,19,25)/t10-,12+,30?/m0/s1
- InChIKey
- NEQJQLHABMTHBO-ULQSCLPBSA-N
- Compound name
- methyl 2-[[[2-(methylamino)-2-oxoethyl]sulfanyl-[[(2S,5R)-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 475.11592 | 199.3 |
[M+Na]+ | 497.09786 | 203.0 |
[M-H]- | 473.10136 | 200.8 |
[M+NH4]+ | 492.14246 | 204.2 |
[M+K]+ | 513.07180 | 202.9 |
[M+H-H2O]+ | 457.10590 | 189.0 |
[M+HCOO]- | 519.10684 | 216.1 |
[M+CH3COO]- | 533.12249 | 232.0 |
[M+Na-2H]- | 495.08331 | 198.1 |
[M]+ | 474.10809 | 205.7 |
[M]- | 474.10919 | 205.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.