CID 131820702
Dtxsid601344734
Structural Information
- Molecular Formula
- C52H100NO8P
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCNC
- InChI
- InChI=1S/C52H100NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53-3)48-58-51(54)44-42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-5-2/h13,15,19,21,50,53H,4-12,14,16-18,20,22-49H2,1-3H3,(H,56,57)/b15-13-,21-19-
- InChIKey
- HHJXIOCRACUMQM-RYKNKZFFSA-N
- Compound name
- [1-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] tetracosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 898.72588 | 319.0 |
[M+Na]+ | 920.70782 | 320.4 |
[M-H]- | 896.71132 | 306.5 |
[M+NH4]+ | 915.75242 | 324.7 |
[M+K]+ | 936.68176 | 326.9 |
[M+H-H2O]+ | 880.71586 | 308.3 |
[M+HCOO]- | 942.71680 | 315.9 |
[M+CH3COO]- | 956.73245 | 317.2 |
[M+Na-2H]- | 918.69327 | 293.5 |
[M]+ | 897.71805 | 317.6 |
[M]- | 897.71915 | 317.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.