CID 5313674

Pc(22:0/18:1(9z))

Structural Information

Molecular Formula
C48H95NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h21,26,46H,6-20,22-25,27-45H2,1-5H3/p+1/b26-21-/t46-/m1/s1
InChIKey
AWZDTGDSDIBXAE-MLLRONJJSA-O
Compound name
2-[[(2R)-3-docosanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2
Patents

844.6795 Da
Monoisotopic Mass

16.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 845.68678 304.2
[M+Na]+ 867.66872 305.3
[M+NH4]+ 862.71332 281.9
[M+K]+ 883.64266 309.8
[M-H]- 843.67222 297.8
[M+Na-2H]- 865.65417 289.9
[M]+ 844.67895 303.5
[M]- 844.68005 303.5
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

patents stripe