CID 67233966

4',7-di-o-methylcatechin

Structural Information

Molecular Formula
C17H18O6
SMILES
COC1=C(C=C(C=C1)C2C(CC3=C(C=C(C=C3O2)OC)O)O)O
InChI
InChI=1S/C17H18O6/c1-21-10-6-12(18)11-8-14(20)17(23-16(11)7-10)9-3-4-15(22-2)13(19)5-9/h3-7,14,17-20H,8H2,1-2H3
InChIKey
MWTVZZZJXLZCEN-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

318.11035 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.117626 170.9
[M+Na]+ 341.099568 179.0
[M-H]- 317.103074 176.0
[M+NH4]+ 336.144173 183.4
[M+K]+ 357.073508 177.0
[M+H-H2O]+ 301.107610 163.5
[M+HCOO]- 363.108551 186.7
[M+CH3COO]- 377.124201 202.8
[M+Na-2H]- 339.085016 174.1
[M]+ 318.10980142 173.2
[M]- 318.11089858 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.