CID 131756619

Tracylglycerol(20:0/24:0/22:0)

Structural Information

Molecular Formula
C69H134O6
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C69H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h66H,4-65H2,1-3H3/t66-/m0/s1
InChIKey
QDVVEOYVLFTRNU-FGKSCKJQSA-N
Compound name
[(2S)-1-docosanoyloxy-3-icosanoyloxypropan-2-yl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1059.0181 Da
Monoisotopic Mass

31.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1060.0254 359.0
[M+Na]+ 1082.0073 359.9
[M-H]- 1058.0108 336.2
[M+NH4]+ 1077.0519 366.0
[M+K]+ 1097.9813 374.7
[M+H-H2O]+ 1042.0154 358.2
[M+HCOO]- 1104.0163 349.1
[M+CH3COO]- 1118.0320 346.5
[M+Na-2H]- 1079.9928 332.0
[M]+ 1059.0176 363.0
[M]- 1059.0186 363.0
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.