CID 991367

Methyl 4-{[7-(acetyloxy)-2-methyl-4-oxo-4h-chromen-3-yl]oxy}benzoate

Structural Information

Molecular Formula
C20H16O7
SMILES
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)OC3=CC=C(C=C3)C(=O)OC
InChI
InChI=1S/C20H16O7/c1-11-19(27-14-6-4-13(5-7-14)20(23)24-3)18(22)16-9-8-15(26-12(2)21)10-17(16)25-11/h4-10H,1-3H3
InChIKey
CMRVIYCAQVOYLM-UHFFFAOYSA-N
Compound name
methyl 4-(7-acetyloxy-2-methyl-4-oxochromen-3-yl)oxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0896 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.09688 181.0
[M+Na]+ 391.07882 190.3
[M-H]- 367.08232 190.3
[M+NH4]+ 386.12342 193.0
[M+K]+ 407.05276 189.9
[M+H-H2O]+ 351.08686 172.1
[M+HCOO]- 413.08780 201.9
[M+CH3COO]- 427.10345 217.2
[M+Na-2H]- 389.06427 184.3
[M]+ 368.08905 190.0
[M]- 368.09015 190.0
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.