CID 3051852

Brn 1458488

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

CCOC1=CC(=CC(=O)N1C)C2=CC=CC=C2

InChI

InChI=1S/C14H15NO2/c1-3-17-14-10-12(9-13(16)15(14)2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3

InChIKey

UHFVJXVIJCJFOT-UHFFFAOYSA-N

Compound name

6-ethoxy-1-methyl-4-phenylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.11028 Da
Monoisotopic Mass: 2.1
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]+	230.117556	149.4
[M+Na]+	252.099498	159.1
[M-H]-	228.103004	155.5
[M+NH4]+	247.144103	166.5
[M+K]+	268.073438	155.6
[M+H-H2O]+	212.107540	141.5
[M+HCOO]-	274.108481	173.1
[M+CH3COO]-	288.124131	191.4
[M+Na-2H]-	250.084946	155.4
[M]+	229.10973142	152.3
[M]-	229.11082858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.