CID 131754152

Tracylglycerol(15:0/16:0/15:0)

Structural Information

Molecular Formula
C49H94O6
SMILES
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46H,4-45H2,1-3H3
InChIKey
PTXNRKWTGBWBEZ-UHFFFAOYSA-N
Compound name
1,3-di(pentadecanoyloxy)propan-2-yl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

778.705 Da
Monoisotopic Mass

20.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 779.71228 300.8
[M+Na]+ 801.69422 304.7
[M-H]- 777.69772 285.1
[M+NH4]+ 796.73882 307.6
[M+K]+ 817.66816 311.5
[M+H-H2O]+ 761.70226 301.5
[M+HCOO]- 823.70320 297.8
[M+CH3COO]- 837.71885 298.9
[M+Na-2H]- 799.67967 280.5
[M]+ 778.70445 302.1
[M]- 778.70555 302.1
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.