CID 102696

1823-18-3

Structural Information

Molecular Formula
C20H20O6
SMILES
CC(=C)C(=O)OCC(COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O)O
InChI
InChI=1S/C20H20O6/c1-13(2)20(24)26-12-15(21)11-25-16-8-9-17(18(22)10-16)19(23)14-6-4-3-5-7-14/h3-10,15,21-22H,1,11-12H2,2H3
InChIKey
FCRMARSNWJWNPW-UHFFFAOYSA-N
Compound name
[3-(4-benzoyl-3-hydroxyphenoxy)-2-hydroxypropyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1652
Patents

356.12598 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 182.2
[M+Na]+ 379.11520 186.1
[M-H]- 355.11870 185.6
[M+NH4]+ 374.15980 192.6
[M+K]+ 395.08914 183.6
[M+H-H2O]+ 339.12324 174.0
[M+HCOO]- 401.12418 199.2
[M+CH3COO]- 415.13983 210.5
[M+Na-2H]- 377.10065 180.2
[M]+ 356.12543 184.3
[M]- 356.12653 184.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.