CID 131821451
Pe-nme2(20:4(5z,8z,11z,14z)/22:1(13z))
Structural Information
- Molecular Formula
- C49H88NO8P
- SMILES
- CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC(COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN(C)C
- InChI
- InChI=1S/C49H88NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3)4)45-55-48(51)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2/h14,16,19-22,27,29,33,35,47H,5-13,15,17-18,23-26,28,30-32,34,36-46H2,1-4H3,(H,53,54)/b16-14-,21-19-,22-20-,29-27-,35-33-
- InChIKey
- LLGGMEUMHSQKLI-SYJWJANTSA-N
- Compound name
- [1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropan-2-yl] (Z)-docos-13-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 850.63204 | 307.7 |
[M+Na]+ | 872.61398 | 311.5 |
[M+NH4]+ | 867.65858 | 314.0 |
[M+K]+ | 888.58792 | 313.1 |
[M-H]- | 848.61748 | 298.7 |
[M+Na-2H]- | 870.59943 | 305.9 |
[M]+ | 849.62421 | 307.4 |
[M]- | 849.62531 | 307.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.