CID 52922592

Pc(17:2(9z,12z)/15:1(9z))

Structural Information

Molecular Formula
C40H75NO8P
SMILES
CCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C40H74NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-19-17-15-13-11-9-7-2/h12,14-15,17-18,20,38H,6-11,13,16,19,21-37H2,1-5H3/p+1/b14-12-,17-15-,20-18-/t38-/m1/s1
InChIKey
PIAWHVAQMAJUJM-CPMYMSRISA-O
Compound name
2-[[(2R)-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-[(Z)-pentadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

728.523 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 729.53028 276.4
[M+Na]+ 751.51222 279.8
[M-H]- 727.51572 272.6
[M+NH4]+ 746.55682 285.4
[M+K]+ 767.48616 280.7
[M+H-H2O]+ 711.52026 261.8
[M+HCOO]- 773.52120 284.0
[M+CH3COO]- 787.53685 279.3
[M+Na-2H]- 749.49767 257.1
[M]+ 728.52245 274.2
[M]- 728.52355 274.2
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.