CID 53479546

Pc(24:1(15z)/p-18:0)

Structural Information

Molecular Formula
C50H99NO7P
SMILES
CCCCCCCCCCCCCCCC/C=C\OC(COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C50H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-43-50(52)56-47-49(48-58-59(53,54)57-46-44-51(3,4)5)55-45-42-40-38-36-34-32-30-23-21-19-17-15-13-11-9-7-2/h20,22,42,45,49H,6-19,21,23-41,43-44,46-48H2,1-5H3/p+1/b22-20-,45-42-
InChIKey
PGPURMZKEVWAFO-VMNSASLRSA-O
Compound name
2-[hydroxy-[2-[(Z)-octadec-1-enoxy]-3-[(Z)-tetracos-15-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

856.71594 Da
Monoisotopic Mass

18.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 857.72322 309.0
[M+Na]+ 879.70516 309.6
[M+NH4]+ 874.74976 283.6
[M+K]+ 895.67910 313.8
[M-H]- 855.70866 302.1
[M+Na-2H]- 877.69061 294.0
[M]+ 856.71539 307.9
[M]- 856.71649 307.9
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.