CID 52922231

Pc(14:0/20:3(8z,11z,14z))

Structural Information

Molecular Formula
C42H79NO8P
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h14,16,19-20,22-23,40H,6-13,15,17-18,21,24-39H2,1-5H3/p+1/b16-14-,20-19-,23-22-/t40-/m1/s1
InChIKey
ZAUFLMLTXNKVAB-AFYHZPHLSA-O
Compound name
2-[hydroxy-[(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-3-tetradecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

756.5543 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 757.56158 282.0
[M+Na]+ 779.54352 284.8
[M+NH4]+ 774.58812 258.6
[M+K]+ 795.51746 290.8
[M-H]- 755.54702 276.5
[M+Na-2H]- 777.52897 270.3
[M]+ 756.55375 282.3
[M]- 756.55485 282.3
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.