CID 3007385

108664-24-0

Structural Information

Molecular Formula

C₂₀H₁₅NO₂

SMILES

C=C(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)N3C=CC=CC3=O

InChI

InChI=1S/C20H15NO2/c1-15(21-14-6-5-9-19(21)22)20(23)18-12-10-17(11-13-18)16-7-3-2-4-8-16/h2-14H,1H2

InChIKey

KBLNPQMMYCILNR-UHFFFAOYSA-N

Compound name

1-[3-oxo-3-(4-phenylphenyl)prop-1-en-2-yl]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 301.1103 Da
Monoisotopic Mass: 4.1
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]+	302.117576	169.6
[M+Na]+	324.099518	176.7
[M-H]-	300.103024	177.8
[M+NH4]+	319.144123	182.2
[M+K]+	340.073458	170.9
[M+H-H2O]+	284.107560	159.6
[M+HCOO]-	346.108501	190.7
[M+CH3COO]-	360.124151	204.4
[M+Na-2H]-	322.084966	173.1
[M]+	301.10975142	168.6
[M]-	301.11084858	168.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.