CID 1042853

8-acetyl-4-methyl-2-oxo-2h-chromen-7-yl 3-methoxybenzoate

Structural Information

Molecular Formula
C20H16O6
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2C(=O)C)OC(=O)C3=CC(=CC=C3)OC
InChI
InChI=1S/C20H16O6/c1-11-9-17(22)26-19-15(11)7-8-16(18(19)12(2)21)25-20(23)13-5-4-6-14(10-13)24-3/h4-10H,1-3H3
InChIKey
SRBUVXIWRBLAMD-UHFFFAOYSA-N
Compound name
(8-acetyl-4-methyl-2-oxochromen-7-yl) 3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

352.0947 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10198 178.1
[M+Na]+ 375.08392 187.6
[M-H]- 351.08742 187.4
[M+NH4]+ 370.12852 190.8
[M+K]+ 391.05786 186.4
[M+H-H2O]+ 335.09196 169.5
[M+HCOO]- 397.09290 198.8
[M+CH3COO]- 411.10855 215.5
[M+Na-2H]- 373.06937 181.2
[M]+ 352.09415 185.7
[M]- 352.09525 185.7
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.