CID 215946

13160-59-3

Structural Information

Molecular Formula

C₁₂H₁₁N₃O

SMILES

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

InChI

InChI=1S/C12H11N3O/c13-10-5-3-9(4-6-10)12(16)15-11-2-1-7-14-8-11/h1-8H,13H2,(H,15,16)

InChIKey

WCXIIJKFSVCDPK-UHFFFAOYSA-N

Compound name

4-amino-N-pyridin-3-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 26
Patents: 213.09021 Da
Monoisotopic Mass: 1.4
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]+	214.09749	146.9
[M+Na]+	236.07943	159.8
[M+NH4]+	231.12403	154.9
[M+K]+	252.05337	153.2
[M-H]-	212.08293	151.6
[M+Na-2H]-	234.06488	156.4
[M]+	213.08966	149.9
[M]-	213.09076	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe