CID 53479122
Pc(20:4(8z,11z,14z,17z)/p-18:1(9z))
Structural Information
- Molecular Formula
- C46H83NO7P
- SMILES
- CCCCCCCC/C=C\CCCCCC/C=C\OC(COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCC[N+](C)(C)C
- InChI
- InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,38,41,45H,6-7,9,11-13,15,17-19,24,26,28-37,39-40,42-44H2,1-5H3/p+1/b10-8-,16-14-,22-20-,23-21-,27-25-,41-38-
- InChIKey
- ATTCDOPAYPGSLE-LQULQHAGSA-O
- Compound name
- 2-[hydroxy-[3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-2-[(1Z,9Z)-octadeca-1,9-dienoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 793.59798 | 288.9 |
[M+Na]+ | 815.57992 | 291.3 |
[M+NH4]+ | 810.62452 | 263.2 |
[M+K]+ | 831.55386 | 297.9 |
[M-H]- | 791.58342 | 283.2 |
[M+Na-2H]- | 813.56537 | 276.5 |
[M]+ | 792.59015 | 289.0 |
[M]- | 792.59125 | 289.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.