CID 53478199

Diacylglycerol(20:0/24:0)

Structural Information

Molecular Formula
C47H92O5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C47H92O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h45,48H,3-44H2,1-2H3/t45-/m0/s1
InChIKey
WGNDGJTYGIEOFX-GWHBCOKCSA-N
Compound name
[(2S)-1-hydroxy-3-icosanoyloxypropan-2-yl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

736.69446 Da
Monoisotopic Mass

20.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 737.70174 293.1
[M+Na]+ 759.68368 295.7
[M-H]- 735.68718 274.7
[M+NH4]+ 754.72828 294.9
[M+K]+ 775.65762 301.8
[M+H-H2O]+ 719.69172 292.0
[M+HCOO]- 781.69266 290.7
[M+CH3COO]- 795.70831 290.6
[M+Na-2H]- 757.66913 272.1
[M]+ 736.69391 292.6
[M]- 736.69501 292.6
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.