CID 131753323

Tracylglycerol(14:0/20:0/14:0)

Structural Information

Molecular Formula
C51H98O6
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h48H,4-47H2,1-3H3
InChIKey
YUAONXWAMSMGGS-UHFFFAOYSA-N
Compound name
1,3-di(tetradecanoyloxy)propan-2-yl icosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

806.7363 Da
Monoisotopic Mass

21.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 807.743576 307.0
[M+Na]+ 829.725518 310.7
[M-H]- 805.729024 290.6
[M+NH4]+ 824.770123 313.8
[M+K]+ 845.699458 318.3
[M+H-H2O]+ 789.733560 307.6
[M+HCOO]- 851.734501 303.3
[M+CH3COO]- 865.750151 304.0
[M+Na-2H]- 827.710966 286.0
[M]+ 806.73575142 308.5
[M]- 806.73684858 308.5
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.