CID 503023
5-fluorodeoxyuridine triphosphate
Structural Information
- Molecular Formula
- C9H14FN2O14P3
- SMILES
- C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
- InChI
- InChI=1S/C9H14FN2O14P3/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h2,5-7,13H,1,3H2,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
- InChIKey
- YQOCUTDPKPPQGA-RRKCRQDMSA-N
- Compound name
- [[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 486.97148 | 187.9 |
[M+Na]+ | 508.95342 | 192.4 |
[M-H]- | 484.95692 | 185.3 |
[M+NH4]+ | 503.99802 | 189.4 |
[M+K]+ | 524.92736 | 186.0 |
[M+H-H2O]+ | 468.96146 | 174.7 |
[M+HCOO]- | 530.96240 | 215.2 |
[M+CH3COO]- | 544.97805 | 221.5 |
[M+Na-2H]- | 506.93887 | 189.5 |
[M]+ | 485.96365 | 175.5 |
[M]- | 485.96475 | 175.5 |