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
2
Annotation Hits

0
References

1549
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 182.4
[M+Na]+ 379.11520 192.5
[M+NH4]+ 374.15980 186.4
[M+K]+ 395.08914 188.8
[M-H]- 355.11870 182.7
[M+Na-2H]- 377.10065 186.5
[M]+ 356.12543 183.5
[M]- 356.12653 183.5
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

patents stripe