CID 8566606

904013-52-1

Structural Information

Molecular Formula

C₁₂H₁₁N₃O

SMILES

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

InChI

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

InChIKey

IFZUSOBLKLWQIS-UHFFFAOYSA-N

Compound name

N-(3-aminophenyl)pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 213.09021 Da
Monoisotopic Mass: 1.0
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	145.7
[M+Na]+	236.07943	152.5
[M-H]-	212.08293	150.8
[M+NH4]+	231.12403	161.8
[M+K]+	252.05337	148.8
[M+H-H2O]+	196.08747	137.4
[M+HCOO]-	258.08841	170.4
[M+CH3COO]-	272.10406	190.4
[M+Na-2H]-	234.06488	152.9
[M]+	213.08966	142.6
[M]-	213.09076	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe