CID 52924477
Pe(19:0/18:2)
Structural Information
- Molecular Formula
- C42H80NO8P
- SMILES
- CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C42H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,40H,3-11,13,15-17,19,21-39,43H2,1-2H3,(H,46,47)/b14-12-,20-18-/t40-/m1/s1
- InChIKey
- SBVNTISGMCSXLX-ZWSUCZCESA-N
- Compound name
- [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] nonadecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 758.56941 | 283.0 |
[M+Na]+ | 780.55135 | 286.0 |
[M-H]- | 756.55485 | 273.8 |
[M+NH4]+ | 775.59595 | 287.7 |
[M+K]+ | 796.52529 | 288.0 |
[M+H-H2O]+ | 740.55939 | 272.7 |
[M+HCOO]- | 802.56033 | 283.0 |
[M+CH3COO]- | 816.57598 | 291.1 |
[M+Na-2H]- | 778.53680 | 261.3 |
[M]+ | 757.56158 | 279.4 |
[M]- | 757.56268 | 279.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.