CID 53479158

Pc(22:0/p-16:0)

Structural Information

Molecular Formula
C46H93NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O/C=C\CCCCCCCCCCCCCC
InChI
InChI=1S/C46H92NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h38,41,45H,6-37,39-40,42-44H2,1-5H3/p+1/b41-38-
InChIKey
VYMPOARESDCNFV-GJARRJKISA-O
Compound name
2-[[3-docosanoyloxy-2-[(Z)-hexadec-1-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

802.66895 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 803.67623 299.4
[M+Na]+ 825.65817 300.4
[M+NH4]+ 820.70277 273.2
[M+K]+ 841.63211 304.5
[M-H]- 801.66167 292.6
[M+Na-2H]- 823.64362 285.3
[M]+ 802.66840 298.4
[M]- 802.66950 298.4
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.