CID 14427399

7,2'-dihydroxy-8,4'-dimethoxyisoflav-3-ene

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=CC(=C(C=C1)C2=CC3=C(C(=C(C=C3)O)OC)OC2)O
InChI
InChI=1S/C17H16O5/c1-20-12-4-5-13(15(19)8-12)11-7-10-3-6-14(18)17(21-2)16(10)22-9-11/h3-8,18-19H,9H2,1-2H3
InChIKey
BEHFIWGOMWQJQZ-UHFFFAOYSA-N
Compound name
3-(2-hydroxy-4-methoxyphenyl)-8-methoxy-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 166.6
[M+Na]+ 323.08898 175.6
[M-H]- 299.09248 173.2
[M+NH4]+ 318.13358 180.5
[M+K]+ 339.06292 173.3
[M+H-H2O]+ 283.09702 159.0
[M+HCOO]- 345.09796 185.3
[M+CH3COO]- 359.11361 200.9
[M+Na-2H]- 321.07443 171.8
[M]+ 300.09921 170.3
[M]- 300.10031 170.3
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

patents stripe