CID 5346030

3,4'-dimethoxychalcone

Structural Information

Molecular Formula

C₁₇H₁₆O₃

SMILES

COC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)OC

InChI

InChI=1S/C17H16O3/c1-19-15-9-7-14(8-10-15)17(18)11-6-13-4-3-5-16(12-13)20-2/h3-12H,1-2H3/b11-6+

InChIKey

AQAKRWFRWHZVCZ-IZZDOVSWSA-N

Compound name

(E)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 268.10995 Da
Monoisotopic Mass: 3.6
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]+	269.11723	161.8
[M+Na]+	291.09917	176.3
[M+NH4]+	286.14377	169.7
[M+K]+	307.07311	168.4
[M-H]-	267.10267	165.8
[M+Na-2H]-	289.08462	170.5
[M]+	268.10940	165.1
[M]-	268.11050	165.1

Literature stripe

literature stripe

Patent stripe

patents stripe