CID 44257527

6,7,3'-trihydroxy-2',4'-dimethoxyisoflavene

Structural Information

Molecular Formula
C17H16O6
SMILES
COC1=C(C(=C(C=C1)C2=CC3=CC(=C(C=C3OC2)O)O)OC)O
InChI
InChI=1S/C17H16O6/c1-21-14-4-3-11(17(22-2)16(14)20)10-5-9-6-12(18)13(19)7-15(9)23-8-10/h3-7,18-20H,8H2,1-2H3
InChIKey
SSQZVXWYVVNXKO-UHFFFAOYSA-N
Compound name
3-(3-hydroxy-2,4-dimethoxyphenyl)-2H-chromene-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.0947 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.101976 169.9
[M+Na]+ 339.083918 179.1
[M-H]- 315.087424 175.5
[M+NH4]+ 334.128523 182.6
[M+K]+ 355.057858 176.9
[M+H-H2O]+ 299.091960 162.4
[M+HCOO]- 361.092901 187.1
[M+CH3COO]- 375.108551 202.4
[M+Na-2H]- 337.069366 174.0
[M]+ 316.09415142 173.7
[M]- 316.09524858 173.7
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.