CID 90211

23612-46-6

Structural Information

Molecular Formula

C₁₃H₁₂N₂O

SMILES

CC1=C(N=CC=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H12N2O/c1-10-6-5-9-14-12(10)15-13(16)11-7-3-2-4-8-11/h2-9H,1H3,(H,14,15,16)

InChIKey

JJBRLTIVSDLEJK-UHFFFAOYSA-N

Compound name

N-(3-methylpyridin-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 212.09496 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]+	213.10224	146.2
[M+Na]+	235.08418	153.4
[M-H]-	211.08768	151.7
[M+NH4]+	230.12878	163.0
[M+K]+	251.05812	149.9
[M+H-H2O]+	195.09222	138.0
[M+HCOO]-	257.09316	170.1
[M+CH3COO]-	271.10881	189.0
[M+Na-2H]-	233.06963	153.5
[M]+	212.09441	145.1
[M]-	212.09551	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe