CID 6918086
Tei-6170
Structural Information
- Molecular Formula
- C23H40FN2O8P
- SMILES
- CCCCCCCCCCCCCCOP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)F)O
- InChI
- InChI=1S/C23H40FN2O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-32-35(30,31)33-17-20-19(27)15-21(34-20)26-16-18(24)22(28)25-23(26)29/h16,19-21,27H,2-15,17H2,1H3,(H,30,31)(H,25,28,29)/t19-,20+,21+/m0/s1
- InChIKey
- IGXUBNSHRZHJRV-PWRODBHTSA-N
- Compound name
- [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl tetradecyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 523.25788 | 225.5 |
[M+Na]+ | 545.23982 | 227.5 |
[M-H]- | 521.24332 | 222.4 |
[M+NH4]+ | 540.28442 | 227.5 |
[M+K]+ | 561.21376 | 224.5 |
[M+H-H2O]+ | 505.24786 | 213.1 |
[M+HCOO]- | 567.24880 | 240.6 |
[M+CH3COO]- | 581.26445 | 238.8 |
[M+Na-2H]- | 543.22527 | 219.0 |
[M]+ | 522.25005 | 231.9 |
[M]- | 522.25115 | 231.9 |