CID 171119523
Cer(d18:2/29:0)
Structural Information
- Molecular Formula
- C47H91NO3
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCC/C=C\CCC)O
- InChI
- InChI=1S/C47H91NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-47(51)48-45(44-49)46(50)42-40-38-36-34-32-30-16-14-12-10-8-6-4-2/h8,10,40,42,45-46,49-50H,3-7,9,11-39,41,43-44H2,1-2H3,(H,48,51)/b10-8-,42-40+/t45-,46+/m0/s1
- InChIKey
- QGVWGFPYCMFHAU-PSVMFKNSSA-N
- Compound name
- N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]nonacosanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 718.70718 | 292.6 |
[M+Na]+ | 740.68912 | 296.7 |
[M-H]- | 716.69262 | 275.5 |
[M+NH4]+ | 735.73372 | 289.7 |
[M+K]+ | 756.66306 | 301.6 |
[M+H-H2O]+ | 700.69716 | 288.9 |
[M+HCOO]- | 762.69810 | 287.1 |
[M+CH3COO]- | 776.71375 | 289.2 |
[M+Na-2H]- | 738.67457 | 271.3 |
[M]+ | 717.69935 | 287.6 |
[M]- | 717.70045 | 287.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.