CID 16785637

87394-64-7

Structural Information

Molecular Formula

C₁₀H₁₄N₄O

SMILES

C1CN(CCN1)C2=C(C=CC=N2)C(=O)N

InChI

InChI=1S/C10H14N4O/c11-9(15)8-2-1-3-13-10(8)14-6-4-12-5-7-14/h1-3,12H,4-7H2,(H2,11,15)

InChIKey

RYNARQDUUQTTFJ-UHFFFAOYSA-N

Compound name

2-piperazin-1-ylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 28
Patents: 206.11676 Da
Monoisotopic Mass: -0.5
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]+	207.12404	147.2
[M+Na]+	229.10598	152.2
[M-H]-	205.10948	147.3
[M+NH4]+	224.15058	160.2
[M+K]+	245.07992	148.3
[M+H-H2O]+	189.11402	138.0
[M+HCOO]-	251.11496	162.9
[M+CH3COO]-	265.13061	184.2
[M+Na-2H]-	227.09143	151.6
[M]+	206.11621	139.1
[M]-	206.11731	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe