CID 53478678

Pc(16:0/p-18:1(9z))

Structural Information

Molecular Formula
C42H83NO7P
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O/C=C\CCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-41(40-50-51(45,46)49-38-36-43(3,4)5)39-48-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h20-21,34,37,41H,6-19,22-33,35-36,38-40H2,1-5H3/p+1/b21-20-,37-34-
InChIKey
UQCSRPHVLJIYTA-ADJITVTDSA-O
Compound name
2-[[3-hexadecanoyloxy-2-[(1Z,9Z)-octadeca-1,9-dienoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

744.5907 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.59798 285.0
[M+Na]+ 767.57992 287.1
[M+NH4]+ 762.62452 258.5
[M+K]+ 783.55386 292.1
[M-H]- 743.58342 278.8
[M+Na-2H]- 765.56537 272.6
[M]+ 744.59015 284.7
[M]- 744.59125 284.7
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.