CID 53478706

Pc(18:0/p-18:0)

Structural Information

Molecular Formula
C44H89NO7P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O/C=C\CCCCCCCCCCCCCCCC
InChI
InChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36,39,43H,6-35,37-38,40-42H2,1-5H3/p+1/b39-36-
InChIKey
LQGHAKFUDWIULA-HYLXNHFUSA-O
Compound name
2-[hydroxy-[3-octadecanoyloxy-2-[(Z)-octadec-1-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

774.6377 Da
Monoisotopic Mass

16.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 775.64498 293.4
[M+Na]+ 797.62692 294.8
[M+NH4]+ 792.67152 266.9
[M+K]+ 813.60086 299.0
[M-H]- 773.63042 286.8
[M+Na-2H]- 795.61237 279.9
[M]+ 774.63715 292.6
[M]- 774.63825 292.6
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.