CID 44257599

3',5,6-trimethoxyflavone

Structural Information

Molecular Formula

C₁₈H₁₆O₅

SMILES

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

InChI

InChI=1S/C18H16O5/c1-20-12-6-4-5-11(9-12)16-10-13(19)17-14(23-16)7-8-15(21-2)18(17)22-3/h4-10H,1-3H3

InChIKey

XRARMLJTDKCRRO-UHFFFAOYSA-N

Compound name

5,6-dimethoxy-2-(3-methoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 312.09976 Da
Monoisotopic Mass: 3.1
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]+	313.107036	168.9
[M+Na]+	335.088978	179.6
[M-H]-	311.092484	178.4
[M+NH4]+	330.133583	183.8
[M+K]+	351.062918	178.1
[M+H-H2O]+	295.097020	160.4
[M+HCOO]-	357.097961	191.8
[M+CH3COO]-	371.113611	207.5
[M+Na-2H]-	333.074426	175.2
[M]+	312.09921142	177.1
[M]-	312.10030858	177.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.