CID 720572

8-acetyl-4-methyl-2-oxo-2h-chromen-7-yl furan-2-carboxylate

Structural Information

Molecular Formula
C17H12O6
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2C(=O)C)OC(=O)C3=CC=CO3
InChI
InChI=1S/C17H12O6/c1-9-8-14(19)23-16-11(9)5-6-12(15(16)10(2)18)22-17(20)13-4-3-7-21-13/h3-8H,1-2H3
InChIKey
WDPZMZYVQGRDLY-UHFFFAOYSA-N
Compound name
(8-acetyl-4-methyl-2-oxochromen-7-yl) furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.0634 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07068 166.2
[M+Na]+ 335.05262 177.3
[M-H]- 311.05612 176.9
[M+NH4]+ 330.09722 181.2
[M+K]+ 351.02656 177.2
[M+H-H2O]+ 295.06066 159.7
[M+HCOO]- 357.06160 189.3
[M+CH3COO]- 371.07725 205.0
[M+Na-2H]- 333.03807 170.6
[M]+ 312.06285 175.3
[M]- 312.06395 175.3
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.