CID 54688533

4-hydroxy-7-methoxy-3-(2-oxochromen-7-yl)oxy-chromen-2-one

Structural Information

Molecular Formula
C19H12O7
SMILES
COC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O
InChI
InChI=1S/C19H12O7/c1-23-11-5-6-13-15(8-11)26-19(22)18(17(13)21)24-12-4-2-10-3-7-16(20)25-14(10)9-12/h2-9,21H,1H3
InChIKey
MZISFBCXNRUPSW-UHFFFAOYSA-N
Compound name
4-hydroxy-7-methoxy-3-(2-oxochromen-7-yl)oxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.0583 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.06558 176.0
[M+Na]+ 375.04752 188.8
[M-H]- 351.05102 186.6
[M+NH4]+ 370.09212 187.9
[M+K]+ 391.02146 187.8
[M+H-H2O]+ 335.05556 166.7
[M+HCOO]- 397.05650 197.3
[M+CH3COO]- 411.07215 189.1
[M+Na-2H]- 373.03297 185.1
[M]+ 352.05775 185.8
[M]- 352.05885 185.8
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.