CID 131821003
Pe-nme2(14:0/22:4(7z,10z,13z,16z))
Structural Information
- Molecular Formula
- C43H78NO8P
- SMILES
- CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C43H78NO8P/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3)4)39-49-42(45)35-33-31-29-27-25-16-14-12-10-8-6-2/h13,15,18-19,21-22,24,26,41H,5-12,14,16-17,20,23,25,27-40H2,1-4H3,(H,47,48)/b15-13-,19-18-,22-21-,26-24-
- InChIKey
- OBQZZRUKJQIELI-HVPDHYGESA-N
- Compound name
- [1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 768.55378 | 289.5 |
[M+Na]+ | 790.53572 | 295.3 |
[M-H]- | 766.53922 | 284.1 |
[M+NH4]+ | 785.58032 | 299.9 |
[M+K]+ | 806.50966 | 297.5 |
[M+H-H2O]+ | 750.54376 | 281.5 |
[M+HCOO]- | 812.54470 | 290.7 |
[M+CH3COO]- | 826.56035 | 294.5 |
[M+Na-2H]- | 788.52117 | 269.7 |
[M]+ | 767.54595 | 288.2 |
[M]- | 767.54705 | 288.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.