CID 53478648

Pc(15:0/20:3(5z,8z,11z))

Structural Information

Molecular Formula
C43H81NO8P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
InChI
InChI=1S/C43H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h20-21,23-24,28,30,41H,6-19,22,25-27,29,31-40H2,1-5H3/p+1/b21-20-,24-23-,30-28-/t41-/m1/s1
InChIKey
HPSXRQYORYXLNT-WPCOGVEASA-O
Compound name
2-[hydroxy-[(2R)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-3-pentadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

770.57 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 771.57728 285.1
[M+Na]+ 793.55922 287.7
[M+NH4]+ 788.60382 261.9
[M+K]+ 809.53316 293.6
[M-H]- 769.56272 279.6
[M+Na-2H]- 791.54467 273.1
[M]+ 770.56945 285.3
[M]- 770.57055 285.3
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.