CID 53480706

1-(1-enyl-stearoyl)-2-palmitoyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C42H85NO7P
SMILES
CCCCCCCCCCCCCCCC/C=C\OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h34,37,41H,6-33,35-36,38-40H2,1-5H3/p+1/b37-34-
InChIKey
OIICTMOQBYZCDA-LLLYXHGFSA-O
Compound name
2-[[2-hexadecanoyloxy-3-[(Z)-octadec-1-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

746.6064 Da
Monoisotopic Mass

15.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 747.61368 287.2
[M+Na]+ 769.59562 289.0
[M+NH4]+ 764.64022 260.6
[M+K]+ 785.56956 293.5
[M-H]- 745.59912 280.8
[M+Na-2H]- 767.58107 274.4
[M]+ 746.60585 286.7
[M]- 746.60695 286.7
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.