CID 44257255

7,2'-dihydroxy-6,4'-dimethoxyisoflavone

Structural Information

Molecular Formula
C17H14O6
SMILES
COC1=CC(=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)O)O
InChI
InChI=1S/C17H14O6/c1-21-9-3-4-10(13(18)5-9)12-8-23-15-7-14(19)16(22-2)6-11(15)17(12)20/h3-8,18-19H,1-2H3
InChIKey
RHNVSRHYVGNPEO-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-6-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

314.07904 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08632 167.8
[M+Na]+ 337.06826 178.7
[M-H]- 313.07176 175.1
[M+NH4]+ 332.11286 181.3
[M+K]+ 353.04220 176.6
[M+H-H2O]+ 297.07630 160.0
[M+HCOO]- 359.07724 188.1
[M+CH3COO]- 373.09289 203.6
[M+Na-2H]- 335.05371 173.2
[M]+ 314.07849 174.0
[M]- 314.07959 174.0
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