CID 50986210
Cdp-1l-myo-inositol(2-)
Structural Information
- Molecular Formula
- C15H25N3O16P2
- SMILES
- C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC3[C@H]([C@H](C([C@H]([C@@H]3O)O)O)O)O)O)O
- InChI
- InChI=1S/C15H25N3O16P2/c16-5-1-2-18(15(26)17-5)14-12(25)6(19)4(32-14)3-31-35(27,28)34-36(29,30)33-13-10(23)8(21)7(20)9(22)11(13)24/h1-2,4,6-14,19-25H,3H2,(H,27,28)(H,29,30)(H2,16,17,26)/t4-,6-,7?,8-,9+,10+,11+,12-,13?,14-/m1/s1
- InChIKey
- FWZKVMBRYZSGFS-MXIHWWRUSA-N
- Compound name
- [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 566.07828 | 209.3 |
[M+Na]+ | 588.06022 | 211.9 |
[M-H]- | 564.06372 | 204.8 |
[M+NH4]+ | 583.10482 | 208.9 |
[M+K]+ | 604.03416 | 209.4 |
[M+H-H2O]+ | 548.06826 | 196.4 |
[M+HCOO]- | 610.06920 | 211.4 |
[M+CH3COO]- | 624.08485 | 216.0 |
[M+Na-2H]- | 586.04567 | 217.8 |
[M]+ | 565.07045 | 200.7 |
[M]- | 565.07155 | 200.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.