CID 131754178

1-pentadecanoyl-2-stearoyl-3-pentadecanoyl-glycerol

Structural Information

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

2D Structure

compound 2d structure
3
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]+ 807.74358 307.0
[M+Na]+ 829.72552 310.7
[M-H]- 805.72902 290.6
[M+NH4]+ 824.77012 313.8
[M+K]+ 845.69946 318.3
[M+H-H2O]+ 789.73356 307.6
[M+HCOO]- 851.73450 303.3
[M+CH3COO]- 865.75015 304.0
[M+Na-2H]- 827.71097 286.0
[M]+ 806.73575 308.5
[M]- 806.73685 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.