CID 10802120

4',7-dihydroxy-3'-methoxyisoflavan

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=C(C=CC(=C1)C2CC3=C(C=C(C=C3)O)OC2)O
InChI
InChI=1S/C16H16O4/c1-19-16-7-10(3-5-14(16)18)12-6-11-2-4-13(17)8-15(11)20-9-12/h2-5,7-8,12,17-18H,6,9H2,1H3
InChIKey
BMADVHDZKAZTNF-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

41
Patents

272.10486 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 160.3
[M+Na]+ 295.09408 175.0
[M+NH4]+ 290.13868 168.8
[M+K]+ 311.06802 168.4
[M-H]- 271.09758 165.8
[M+Na-2H]- 293.07953 166.9
[M]+ 272.10431 164.1
[M]- 272.10541 164.1
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