CID 52923280

Pc(20:4(5z,8z,11z,14z)/15:0)

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

768.5543 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 769.56158 283.0
[M+Na]+ 791.54352 285.9
[M+NH4]+ 786.58812 259.8
[M+K]+ 807.51746 292.3
[M-H]- 767.54702 277.7
[M+Na-2H]- 789.52897 271.3
[M]+ 768.55375 283.4
[M]- 768.55485 283.4
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.