CID 15337591

7-hydroxy-2',4',5'-trimethoxyisoflavone

Structural Information

Molecular Formula

C₁₈H₁₆O₆

SMILES

COC1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3)O)OC)OC

InChI

InChI=1S/C18H16O6/c1-21-14-8-17(23-3)16(22-2)7-12(14)13-9-24-15-6-10(19)4-5-11(15)18(13)20/h4-9,19H,1-3H3

InChIKey

IXZYJZHCXHSCDY-UHFFFAOYSA-N

Compound name

7-hydroxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 0
Patents: 328.0947 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	329.101976	172.1
[M+Na]+	351.083918	183.0
[M-H]-	327.087424	180.6
[M+NH4]+	346.128523	185.7
[M+K]+	367.057858	181.5
[M+H-H2O]+	311.091960	163.8
[M+HCOO]-	373.092901	193.6
[M+CH3COO]-	387.108551	208.8
[M+Na-2H]-	349.069366	177.4
[M]+	328.09415142	180.4
[M]-	328.09524858	180.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.