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]+ 317.10198 169.9
[M+Na]+ 339.08392 179.1
[M-H]- 315.08742 175.5
[M+NH4]+ 334.12852 182.6
[M+K]+ 355.05786 176.9
[M+H-H2O]+ 299.09196 162.4
[M+HCOO]- 361.09290 187.1
[M+CH3COO]- 375.10855 202.4
[M+Na-2H]- 337.06937 174.0
[M]+ 316.09415 173.7
[M]- 316.09525 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.