CID 52923430

Pc(21:0/22:0)

Structural Information

Molecular Formula
C51H103NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C51H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52(3,4)5)47-57-50(53)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h49H,6-48H2,1-5H3/p+1/t49-/m1/s1
InChIKey
QBLXLMCDYZRFOA-ANFMRNGASA-O
Compound name
2-[[(2R)-2-docosanoyloxy-3-henicosanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

888.7421 Da
Monoisotopic Mass

19.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 889.74938 317.6
[M+Na]+ 911.73132 317.0
[M-H]- 887.73482 307.1
[M+NH4]+ 906.77592 325.4
[M+K]+ 927.70526 324.0
[M+H-H2O]+ 871.73936 301.8
[M+HCOO]- 933.74030 318.5
[M+CH3COO]- 947.75595 312.0
[M+Na-2H]- 909.71677 292.4
[M]+ 888.74155 317.1
[M]- 888.74265 317.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.