CID 71240907

4-(piperazin-1-yl)pyridine-3-carboxamide dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₄O

SMILES

C1CN(CCN1)C2=C(C=NC=C2)C(=O)N

InChI

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

InChIKey

TXHMBSDELPJEET-UHFFFAOYSA-N

Compound name

4-piperazin-1-ylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 206.11676 Da
Monoisotopic Mass: -0.8
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]+	207.124036	147.2
[M+Na]+	229.105978	152.2
[M-H]-	205.109484	147.3
[M+NH4]+	224.150583	160.2
[M+K]+	245.079918	148.3
[M+H-H2O]+	189.114020	138.0
[M+HCOO]-	251.114961	162.9
[M+CH3COO]-	265.130611	184.2
[M+Na-2H]-	227.091426	151.6
[M]+	206.11621142	139.1
[M]-	206.11730858	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe