CID 53479162

Pc(22:0/p-18:1(11z))

Structural Information

Molecular Formula
C48H95NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h17,19,40,43,47H,6-16,18,20-39,41-42,44-46H2,1-5H3/p+1/b19-17-,43-40-
InChIKey
JXHHUHJBJTZMAU-WMUWNWGGSA-O
Compound name
2-[[3-docosanoyloxy-2-[(1Z,11Z)-octadeca-1,11-dienoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

828.68463 Da
Monoisotopic Mass

17.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 829.69191 303.2
[M+Na]+ 851.67385 304.2
[M+NH4]+ 846.71845 277.4
[M+K]+ 867.64779 308.5
[M-H]- 827.67735 296.5
[M+Na-2H]- 849.65930 288.8
[M]+ 828.68408 302.3
[M]- 828.68518 302.3
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.