CID 52922313

Pc(15:0/18:1(9z))

Structural Information

Molecular Formula
C41H81NO8P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C41H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-19-17-15-13-11-9-7-2/h20-21,39H,6-19,22-38H2,1-5H3/p+1/b21-20-/t39-/m1/s1
InChIKey
ZEWLMKXMNQOCOQ-KUNNKMQBSA-O
Compound name
2-[hydroxy-[(2R)-2-[(Z)-octadec-9-enoyl]oxy-3-pentadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

746.57 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 747.57728 283.1
[M+Na]+ 769.55922 285.5
[M+NH4]+ 764.60382 259.7
[M+K]+ 785.53316 290.7
[M-H]- 745.56272 277.3
[M+Na-2H]- 767.54467 271.1
[M]+ 746.56945 283.1
[M]- 746.57055 283.1
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

No patent data available for this compound.