CID 61156

Glyceryl tribenzoate

Structural Information

Molecular Formula
C24H20O6
SMILES
C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H20O6/c25-22(18-10-4-1-5-11-18)28-16-21(30-24(27)20-14-8-3-9-15-20)17-29-23(26)19-12-6-2-7-13-19/h1-15,21H,16-17H2
InChIKey
HIZCTWCPHWUPFU-UHFFFAOYSA-N
Compound name
2,3-dibenzoyloxypropyl benzoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

2
References

6394
Patents

404.12598 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.133256 196.2
[M+Na]+ 427.115198 198.4
[M-H]- 403.118704 204.5
[M+NH4]+ 422.159803 204.7
[M+K]+ 443.089138 196.2
[M+H-H2O]+ 387.123240 185.4
[M+HCOO]- 449.124181 215.9
[M+CH3COO]- 463.139831 219.2
[M+Na-2H]- 425.100646 196.7
[M]+ 404.12543142 199.3
[M]- 404.12652858 199.3
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

patents stripe