CID 3037424
Anapp3
Structural Information
- Molecular Formula
- C19H23N10O16P3
- SMILES
- C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])NCCC(=O)OP(=O)(OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)OP(=O)(O)OP(=O)(O)O
- InChI
- InChI=1S/C19H23N10O16P3/c20-17-14-18(24-7-23-17)28(8-25-14)19-16(32)15(31)12(42-19)6-41-48(40,45-47(38,39)44-46(35,36)37)43-13(30)3-4-22-10-2-1-9(26-27-21)5-11(10)29(33)34/h1-2,5,7-8,12,15-16,19,22,31-32H,3-4,6H2,(H,38,39)(H2,20,23,24)(H2,35,36,37)/t12-,15-,16-,19-,48?/m1/s1
- InChIKey
- WIDPMFLUERJOSK-USLZMYRNSA-N
- Compound name
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] 3-(4-azido-2-nitroanilino)propanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 741.05794 | 231.4 |
[M+Na]+ | 763.03988 | 236.0 |
[M-H]- | 739.04338 | 232.9 |
[M+NH4]+ | 758.08448 | 235.3 |
[M+K]+ | 779.01382 | 235.8 |
[M+H-H2O]+ | 723.04792 | 219.6 |
[M+HCOO]- | 785.04886 | 236.9 |
[M+CH3COO]- | 799.06451 | 266.0 |
[M+Na-2H]- | 761.02533 | 254.9 |
[M]+ | 740.05011 | 259.2 |
[M]- | 740.05121 | 259.2 |