CID 52922646

Pc(18:0/15:0)

Structural Information

Molecular Formula
C41H83NO8P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C41H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42(3,4)5)50-41(44)34-32-30-28-26-23-19-17-15-13-11-9-7-2/h39H,6-38H2,1-5H3/p+1/t39-/m1/s1
InChIKey
FHENRYRLCPXONH-LDLOPFEMSA-O
Compound name
2-[hydroxy-[(2R)-3-octadecanoyloxy-2-pentadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

2
Patents

748.58563 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 749.59291 285.2
[M+Na]+ 771.57485 287.4
[M+NH4]+ 766.61945 261.9
[M+K]+ 787.54879 292.0
[M-H]- 747.57835 279.3
[M+Na-2H]- 769.56030 272.8
[M]+ 748.58508 285.0
[M]- 748.58618 285.0
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.