CID 129011065
Chebi:137010
Structural Information
- Molecular Formula
- C41H80NO7P
- SMILES
- CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCNC(=O)CCCCCCC/C=C\CCCCCCCC)O
- InChI
- InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-47-38-40(43)39-49-50(45,46)48-37-35-42-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,33,36,40,43H,3-17,19,21-32,34-35,37-39H2,1-2H3,(H,42,44)(H,45,46)/b20-18-,36-33-/t40-/m1/s1
- InChIKey
- UIBLEFROXMSMHK-QZEVRULJSA-N
- Compound name
- [(2R)-2-hydroxy-3-[(Z)-octadec-1-enoxy]propyl] 2-[[(Z)-octadec-9-enoyl]amino]ethyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 730.57454 | 282.2 |
[M+Na]+ | 752.55648 | 283.8 |
[M-H]- | 728.55998 | 270.3 |
[M+NH4]+ | 747.60108 | 282.8 |
[M+K]+ | 768.53042 | 285.8 |
[M+H-H2O]+ | 712.56452 | 270.4 |
[M+HCOO]- | 774.56546 | 283.1 |
[M+CH3COO]- | 788.58111 | 285.7 |
[M+Na-2H]- | 750.54193 | 259.3 |
[M]+ | 729.56671 | 277.4 |
[M]- | 729.56781 | 277.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.