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]+ 353.101976 178.1
[M+Na]+ 375.083918 187.6
[M-H]- 351.087424 187.4
[M+NH4]+ 370.128523 190.8
[M+K]+ 391.057858 186.4
[M+H-H2O]+ 335.091960 169.5
[M+HCOO]- 397.092901 198.8
[M+CH3COO]- 411.108551 215.5
[M+Na-2H]- 373.069366 181.2
[M]+ 352.09415142 185.7
[M]- 352.09524858 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.