CID 3044875

3',8-dihydroxy-4',6,7-trimethoxyisoflavone

Structural Information

Molecular Formula
C18H16O7
SMILES
COC1=C(C=C(C=C1)C2=COC3=C(C(=C(C=C3C2=O)OC)OC)O)O
InChI
InChI=1S/C18H16O7/c1-22-13-5-4-9(6-12(13)19)11-8-25-17-10(15(11)20)7-14(23-2)18(24-3)16(17)21/h4-8,19,21H,1-3H3
InChIKey
CFAKQDITHIYGEK-UHFFFAOYSA-N
Compound name
8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

344.0896 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09688 176.3
[M+Na]+ 367.07882 191.9
[M+NH4]+ 362.12342 182.4
[M+K]+ 383.05276 186.5
[M-H]- 343.08232 180.6
[M+Na-2H]- 365.06427 181.8
[M]+ 344.08905 179.8
[M]- 344.09015 179.8
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