CID 475304

2,3-bis[(4-hydroxybenzoyl)oxy]propyl 4-hydroxybenzoate

Structural Information

Molecular Formula
C24H20O9
SMILES
C1=CC(=CC=C1C(=O)OCC(COC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C24H20O9/c25-18-7-1-15(2-8-18)22(28)31-13-21(33-24(30)17-5-11-20(27)12-6-17)14-32-23(29)16-3-9-19(26)10-4-16/h1-12,21,25-27H,13-14H2
InChIKey
LCPVXFCFVFOPSE-UHFFFAOYSA-N
Compound name
2,3-bis[(4-hydroxybenzoyl)oxy]propyl 4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

452.11072 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.11800 201.6
[M+Na]+ 475.09994 204.2
[M-H]- 451.10344 206.9
[M+NH4]+ 470.14454 206.6
[M+K]+ 491.07388 203.0
[M+H-H2O]+ 435.10798 191.4
[M+HCOO]- 497.10892 217.3
[M+CH3COO]- 511.12457 223.5
[M+Na-2H]- 473.08539 199.6
[M]+ 452.11017 204.9
[M]- 452.11127 204.9
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.