CID 14235238

7-hydroxy-3',4'-dimethoxyisoflavanone

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=C(C=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)OC
InChI
InChI=1S/C17H16O5/c1-20-14-6-3-10(7-16(14)21-2)13-9-22-15-8-11(18)4-5-12(15)17(13)19/h3-8,13,18H,9H2,1-2H3
InChIKey
SDVPVQSRXRGBGT-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.09976 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 166.0
[M+Na]+ 323.08898 174.7
[M-H]- 299.09248 173.5
[M+NH4]+ 318.13358 180.4
[M+K]+ 339.06292 172.8
[M+H-H2O]+ 283.09702 158.1
[M+HCOO]- 345.09796 184.9
[M+CH3COO]- 359.11361 202.8
[M+Na-2H]- 321.07443 170.6
[M]+ 300.09921 169.3
[M]- 300.10031 169.3
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.