CID 203310

14149-36-1

Structural Information

Molecular Formula

C₁₃H₁₃NO₂

SMILES

CCC1(C=CC(=O)NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C13H13NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-9H,2H2,1H3,(H,14,15,16)

InChIKey

JJRVMNNZSIOQLB-UHFFFAOYSA-N

Compound name

3-ethyl-3-phenylpyridine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 215.09464 Da
Monoisotopic Mass: 1.9
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]+	216.10192	146.9
[M+Na]+	238.08386	154.9
[M-H]-	214.08736	151.1
[M+NH4]+	233.12846	165.4
[M+K]+	254.05780	150.8
[M+H-H2O]+	198.09190	140.0
[M+HCOO]-	260.09284	166.9
[M+CH3COO]-	274.10849	183.9
[M+Na-2H]-	236.06931	152.9
[M]+	215.09409	144.1
[M]-	215.09519	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe