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]+ 345.096876 175.2
[M+Na]+ 367.078818 186.2
[M-H]- 343.082324 182.7
[M+NH4]+ 362.123423 187.6
[M+K]+ 383.052758 184.8
[M+H-H2O]+ 327.086860 167.0
[M+HCOO]- 389.087801 195.3
[M+CH3COO]- 403.103451 210.3
[M+Na-2H]- 365.064266 179.6
[M]+ 344.08905142 183.6
[M]- 344.09014858 183.6
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