CID 52922826

Pc(18:3(9z,12z,15z)/14:0)

Structural Information

Molecular Formula
C40H75NO8P
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C40H74NO8P/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/h8,10,14,16,19-20,38H,6-7,9,11-13,15,17-18,21-37H2,1-5H3/p+1/b10-8-,16-14-,20-19-/t38-/m1/s1
InChIKey
FJUVFXSFGYBNBR-XPTMXNASSA-O
Compound name
2-[hydroxy-[(2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-2-tetradecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

728.523 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 729.53028 275.7
[M+Na]+ 751.51222 278.8
[M+NH4]+ 746.55682 252.1
[M+K]+ 767.48616 285.1
[M-H]- 727.51572 270.4
[M+Na-2H]- 749.49767 264.7
[M]+ 728.52245 276.2
[M]- 728.52355 276.2
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.