CID 631176

6,7,3',4'-tetramethoxyisoflavone

Structural Information

Molecular Formula
C19H18O6
SMILES
COC1=C(C=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)OC)OC
InChI
InChI=1S/C19H18O6/c1-21-14-6-5-11(7-16(14)22-2)13-10-25-15-9-18(24-4)17(23-3)8-12(15)19(13)20/h5-10H,1-4H3
InChIKey
OYSKBZHHLYECLU-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

10
Patents

342.11035 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11763 176.5
[M+Na]+ 365.09957 187.3
[M-H]- 341.10307 186.1
[M+NH4]+ 360.14417 190.2
[M+K]+ 381.07351 186.4
[M+H-H2O]+ 325.10761 167.6
[M+HCOO]- 387.10855 199.1
[M+CH3COO]- 401.12420 214.0
[M+Na-2H]- 363.08502 181.6
[M]+ 342.10980 186.8
[M]- 342.11090 186.8
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

patents stripe