CID 70389

956-30-9

Structural Information

Molecular Formula

C₁₂H₁₀ClN₃O

SMILES

C1=CC=C(C(=C1)C(=O)NC2=C(N=CC=C2)Cl)N

InChI

InChI=1S/C12H10ClN3O/c13-11-10(6-3-7-15-11)16-12(17)8-4-1-2-5-9(8)14/h1-7H,14H2,(H,16,17)

InChIKey

WGPYXKVYVYAEIM-UHFFFAOYSA-N

Compound name

2-amino-N-(2-chloropyridin-3-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 247.05124 Da
Monoisotopic Mass: 2.5
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]+	248.05852	152.9
[M+Na]+	270.04046	161.4
[M-H]-	246.04396	158.1
[M+NH4]+	265.08506	168.8
[M+K]+	286.01440	156.0
[M+H-H2O]+	230.04850	145.4
[M+HCOO]-	292.04944	172.9
[M+CH3COO]-	306.06509	195.3
[M+Na-2H]-	268.02591	158.7
[M]+	247.05069	152.5
[M]-	247.05179	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe