CID 52931152
Sm(d19:1/16:0)
Structural Information
- Molecular Formula
- C40H82N2O6P
- SMILES
- CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCCC)O
- InChI
- InChI=1S/C40H81N2O6P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-39(43)38(37-48-49(45,46)47-36-35-42(3,4)5)41-40(44)34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h31,33,38-39,43H,6-30,32,34-37H2,1-5H3,(H-,41,44,45,46)/p+1/b33-31+/t38-,39+/m0/s1
- InChIKey
- LHFJEPSCFVKEET-JXGHDCMNSA-O
- Compound name
- 2-[[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxynonadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 718.59834 | 281.9 |
[M+Na]+ | 740.58028 | 284.3 |
[M-H]- | 716.58378 | 275.9 |
[M+NH4]+ | 735.62488 | 285.0 |
[M+K]+ | 756.55422 | 285.8 |
[M+H-H2O]+ | 700.58832 | 264.5 |
[M+HCOO]- | 762.58926 | 283.5 |
[M+CH3COO]- | 776.60491 | 283.2 |
[M+Na-2H]- | 738.56573 | 260.4 |
[M]+ | 717.59051 | 275.6 |
[M]- | 717.59161 | 275.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.