CID 53478712

Pc(18:1(11z)/14:0)

Structural Information

Molecular Formula
C40H79NO8P
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h16,18,38H,6-15,17,19-37H2,1-5H3/p+1/b18-16-/t38-/m1/s1
InChIKey
ZBQGASWGCNJQQT-WYRBGLKBSA-O
Compound name
2-[hydroxy-[(2R)-3-[(Z)-octadec-11-enoyl]oxy-2-tetradecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1
Patents

732.5543 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.56158 280.0
[M+Na]+ 755.54352 282.5
[M+NH4]+ 750.58812 256.5
[M+K]+ 771.51746 287.8
[M-H]- 731.54702 274.3
[M+Na-2H]- 753.52897 268.3
[M]+ 732.55375 280.1
[M]- 732.55485 280.1
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