CID 131820680
Pe-nme(22:2(13z,16z)/18:0)
Structural Information
- Molecular Formula
- C46H88NO8P
- SMILES
- CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCNC
- InChI
- InChI=1S/C46H88NO8P/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47-3)55-46(49)39-37-35-33-31-29-27-24-19-17-15-13-11-9-7-5-2/h12,14,18,20,44,47H,4-11,13,15-17,19,21-43H2,1-3H3,(H,50,51)/b14-12-,20-18-
- InChIKey
- HNSOVTAAVMCTPX-MLWYYCKJSA-N
- Compound name
- [3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-octadecanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 814.63204 | 300.9 |
[M+Na]+ | 836.61398 | 303.3 |
[M-H]- | 812.61748 | 290.6 |
[M+NH4]+ | 831.65858 | 306.5 |
[M+K]+ | 852.58792 | 307.2 |
[M+H-H2O]+ | 796.62202 | 290.7 |
[M+HCOO]- | 858.62296 | 299.9 |
[M+CH3COO]- | 872.63861 | 302.0 |
[M+Na-2H]- | 834.59943 | 277.5 |
[M]+ | 813.62421 | 298.6 |
[M]- | 813.62531 | 298.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.