CID 78893

N-(4-pyridyl)benzamide

Structural Information

Molecular Formula

C₁₂H₁₀N₂O

SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=NC=C2

InChI

InChI=1S/C12H10N2O/c15-12(10-4-2-1-3-5-10)14-11-6-8-13-9-7-11/h1-9H,(H,13,14,15)

InChIKey

PNWVOLKZHJEWQU-UHFFFAOYSA-N

Compound name

N-pyridin-4-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 165
Patents: 198.07932 Da
Monoisotopic Mass: 1.6
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]+	199.08660	141.5
[M+Na]+	221.06854	148.2
[M-H]-	197.07204	146.8
[M+NH4]+	216.11314	158.5
[M+K]+	237.04248	144.9
[M+H-H2O]+	181.07658	133.3
[M+HCOO]-	243.07752	165.8
[M+CH3COO]-	257.09317	184.9
[M+Na-2H]-	219.05399	150.1
[M]+	198.07877	139.7
[M]-	198.07987	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe