CID 52923847
Pc(o-20:0/20:1(11z))
Structural Information
- Molecular Formula
- C48H97NO7P
- SMILES
- CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
- InChI
- InChI=1S/C48H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,47H,6-20,22,24-46H2,1-5H3/p+1/b23-21-/t47-/m1/s1
- InChIKey
- AGFOHCAGHPVAQZ-FYAZAUILSA-O
- Compound name
- 2-[hydroxy-[(2R)-2-[(Z)-icos-11-enoyl]oxy-3-icosoxypropoxy]phosphoryl]oxyethyl-trimethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 831.70754 | 306.8 |
[M+Na]+ | 853.68948 | 306.8 |
[M-H]- | 829.69298 | 295.2 |
[M+NH4]+ | 848.73408 | 312.2 |
[M+K]+ | 869.66342 | 312.1 |
[M+H-H2O]+ | 813.69752 | 290.4 |
[M+HCOO]- | 875.69846 | 311.4 |
[M+CH3COO]- | 889.71411 | 302.8 |
[M+Na-2H]- | 851.67493 | 282.3 |
[M]+ | 830.69971 | 304.8 |
[M]- | 830.70081 | 304.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.