CID 131802893

Dg(a-25:0/20:0/0:0)

Structural Information

Molecular Formula
C48H94O5
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C48H94O5/c1-4-6-7-8-9-10-11-12-13-16-21-24-27-30-33-36-39-42-48(51)53-46(43-49)44-52-47(50)41-38-35-32-29-26-23-20-18-15-14-17-19-22-25-28-31-34-37-40-45(3)5-2/h45-46,49H,4-44H2,1-3H3/t45?,46-/m0/s1
InChIKey
NMNDRWGIVSDCAO-RIVVNBGWSA-N
Compound name
[(2S)-3-hydroxy-2-icosanoyloxypropyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

750.71014 Da
Monoisotopic Mass

20.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 751.71742 299.3
[M+Na]+ 773.69936 298.6
[M+NH4]+ 768.74396 300.5
[M+K]+ 789.67330 300.7
[M-H]- 749.70286 281.8
[M+Na-2H]- 771.68481 294.5
[M]+ 750.70959 294.9
[M]- 750.71069 294.9
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

No patent data available for this compound.