CID 118317

2-piperazinecarboxanilide, dihydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅N₃O

SMILES

C1CNC(CN1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C11H15N3O/c15-11(10-8-12-6-7-13-10)14-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2,(H,14,15)

InChIKey

SSMDZXXROYTJIS-UHFFFAOYSA-N

Compound name

N-phenylpiperazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 205.1215 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]+	206.12878	147.5
[M+Na]+	228.11072	157.7
[M+NH4]+	223.15532	154.6
[M+K]+	244.08466	152.0
[M-H]-	204.11422	149.6
[M+Na-2H]-	226.09617	153.9
[M]+	205.12095	149.1
[M]-	205.12205	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe