CID 54702663

4,7-dihydroxy-8-methyl-3-(2-oxochromen-7-yl)oxy-chromen-2-one

Structural Information

Molecular Formula
C19H12O7
SMILES
CC1=C(C=CC2=C1OC(=O)C(=C2O)OC3=CC4=C(C=C3)C=CC(=O)O4)O
InChI
InChI=1S/C19H12O7/c1-9-13(20)6-5-12-16(22)18(19(23)26-17(9)12)24-11-4-2-10-3-7-15(21)25-14(10)8-11/h2-8,20,22H,1H3
InChIKey
HGIZZRJJDAVWEP-UHFFFAOYSA-N
Compound name
4,7-dihydroxy-8-methyl-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 176.9
[M+Na]+ 375.04752 190.0
[M-H]- 351.05102 186.5
[M+NH4]+ 370.09212 188.3
[M+K]+ 391.02146 188.5
[M+H-H2O]+ 335.05556 168.0
[M+HCOO]- 397.05650 196.6
[M+CH3COO]- 411.07215 189.7
[M+Na-2H]- 373.03297 184.8
[M]+ 352.05775 185.5
[M]- 352.05885 185.5
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.