CID 688812

3,6,3',4'-tetramethoxyflavone

Structural Information

Molecular Formula

C₁₉H₁₈O₆

SMILES

COC1=CC2=C(C=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H18O6/c1-21-12-6-8-14-13(10-12)17(20)19(24-4)18(25-14)11-5-7-15(22-2)16(9-11)23-3/h5-10H,1-4H3

InChIKey

IEWBNRYNNVFPME-UHFFFAOYSA-N

Compound name

2-(3,4-dimethoxyphenyl)-3,6-dimethoxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 342.11035 Da
Monoisotopic Mass: 3.3
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]+	343.117626	176.5
[M+Na]+	365.099568	187.3
[M-H]-	341.103074	186.1
[M+NH4]+	360.144173	190.2
[M+K]+	381.073508	186.4
[M+H-H2O]+	325.107610	167.6
[M+HCOO]-	387.108551	199.1
[M+CH3COO]-	401.124201	214.0
[M+Na-2H]-	363.085016	181.6
[M]+	342.10980142	186.8
[M]-	342.11089858	186.8

Literature stripe

literature stripe

Patent stripe

patents stripe