CID 3007386

108664-25-1

Structural Information

Molecular Formula

C₁₅H₁₃NO₃

SMILES

COC1=CC=CC=C1C(=O)C(=C)N2C=CC=CC2=O

InChI

InChI=1S/C15H13NO3/c1-11(16-10-6-5-9-14(16)17)15(18)12-7-3-4-8-13(12)19-2/h3-10H,1H2,2H3

InChIKey

NXKSNNDXSDMNBI-UHFFFAOYSA-N

Compound name

1-[3-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 255.08954 Da
Monoisotopic Mass: 2.4
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]+	256.096816	154.7
[M+Na]+	278.078758	162.8
[M-H]-	254.082264	160.4
[M+NH4]+	273.123363	169.9
[M+K]+	294.052698	159.5
[M+H-H2O]+	238.086800	146.5
[M+HCOO]-	300.087741	176.6
[M+CH3COO]-	314.103391	195.4
[M+Na-2H]-	276.064206	158.6
[M]+	255.08899142	156.4
[M]-	255.09008858	156.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.