CID 52929752

1-eicosanoyl-glycero-3-phosphate

Structural Information

Molecular Formula
C23H47O7P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C23H47O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h22,24H,2-21H2,1H3,(H2,26,27,28)/t22-/m1/s1
InChIKey
NWCZIQDBEQKZSD-JOCHJYFZSA-N
Compound name
[(2R)-2-hydroxy-3-phosphonooxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

6
Patents

466.30594 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.31322 216.7
[M+Na]+ 489.29516 218.4
[M-H]- 465.29866 207.6
[M+NH4]+ 484.33976 215.9
[M+K]+ 505.26910 214.8
[M+H-H2O]+ 449.30320 206.8
[M+HCOO]- 511.30414 223.5
[M+CH3COO]- 525.31979 230.7
[M+Na-2H]- 487.28061 200.5
[M]+ 466.30539 213.2
[M]- 466.30649 213.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe