CID 52922604

Pc(17:2(9z,12z)/18:1(9z))

Structural Information

Molecular Formula
C43H81NO8P
SMILES
CCCCCCCC/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/C43H80NO8P/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/h13,15,19-22,41H,6-12,14,16-18,23-40H2,1-5H3/p+1/b15-13-,21-19-,22-20-/t41-/m1/s1
InChIKey
KTEPZXGTKVAUBO-LANQZWOGSA-O
Compound name
2-[[(2R)-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

770.57 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 771.57728 286.1
[M+Na]+ 793.55922 288.9
[M-H]- 769.56272 281.1
[M+NH4]+ 788.60382 295.0
[M+K]+ 809.53316 291.1
[M+H-H2O]+ 753.56726 271.2
[M+HCOO]- 815.56820 292.5
[M+CH3COO]- 829.58385 287.4
[M+Na-2H]- 791.54467 265.5
[M]+ 770.56945 284.1
[M]- 770.57055 284.1
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.