CID 233332

622-70-8

Structural Information

Molecular Formula

C₂₀H₁₈O₂

SMILES

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

InChI

InChI=1S/C20H18O2/c1-22-20-15-12-18(13-16-20)11-14-19(21)10-6-5-9-17-7-3-2-4-8-17/h2-16H,1H3

InChIKey

KBNIZXFFJWWJME-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)-7-phenylhepta-1,4,6-trien-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 290.13068 Da
Monoisotopic Mass: 4.7
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]+	291.13796	169.9
[M+Na]+	313.11990	175.9
[M-H]-	289.12340	175.8
[M+NH4]+	308.16450	185.1
[M+K]+	329.09384	169.8
[M+H-H2O]+	273.12794	161.7
[M+HCOO]-	335.12888	192.5
[M+CH3COO]-	349.14453	200.8
[M+Na-2H]-	311.10535	172.8
[M]+	290.13013	170.6
[M]-	290.13123	170.6

Literature stripe

literature stripe

Patent stripe

patents stripe