CID 53479468
Pc(24:0/22:2(13z,16z))
Structural Information
- Molecular Formula
- C54H105NO8P
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C54H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,52H,6-14,16,18-20,22,24-51H2,1-5H3/p+1/b17-15-,23-21-/t52-/m1/s1
- InChIKey
- SGQGBXNILJEVKN-WIXQEAAPSA-O
- Compound name
- 2-[[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-tetracosanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 927.76503 | 319.2 |
[M+Na]+ | 949.74697 | 319.5 |
[M+NH4]+ | 944.79157 | 298.5 |
[M+K]+ | 965.72091 | 323.8 |
[M-H]- | 925.75047 | 278.5 |
[M+Na-2H]- | 947.73242 | 303.4 |
[M]+ | 926.75720 | 318.1 |
[M]- | 926.75830 | 318.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.