CID 52922548

Pc(17:1(9z)/18:3(6z,9z,12z))

Structural Information

Molecular Formula
C43H79NO8P
SMILES
CCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C43H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,19-22,26,28,41H,6-13,15,17-18,23-25,27,29-40H2,1-5H3/p+1/b16-14-,21-19-,22-20-,28-26-/t41-/m1/s1
InChIKey
DDAWGTLWZAVFDH-PDRBVJKUSA-O
Compound name
2-[[(2R)-3-[(Z)-heptadec-9-enoyl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

768.5543 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 769.56158 284.1
[M+Na]+ 791.54352 287.5
[M-H]- 767.54702 279.9
[M+NH4]+ 786.58812 293.3
[M+K]+ 807.51746 289.2
[M+H-H2O]+ 751.55156 269.2
[M+HCOO]- 813.55250 291.3
[M+CH3COO]- 827.56815 285.9
[M+Na-2H]- 789.52897 264.0
[M]+ 768.55375 281.9
[M]- 768.55485 281.9
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.