CID 11971565

1-piperazinepropanamide, 4-(2-pyridinyl)-, dihydrochloride

Structural Information

Molecular Formula

C₁₂H₁₈N₄O

SMILES

C1CN(CCN1CCC(=O)N)C2=CC=CC=N2

InChI

InChI=1S/C12H18N4O/c13-11(17)4-6-15-7-9-16(10-8-15)12-3-1-2-5-14-12/h1-3,5H,4,6-10H2,(H2,13,17)

InChIKey

TWSOYAXFQJSRGO-UHFFFAOYSA-N

Compound name

3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 234.14806 Da
Monoisotopic Mass: 0.4
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]+	235.155336	155.5
[M+Na]+	257.137278	160.0
[M-H]-	233.140784	156.5
[M+NH4]+	252.181883	168.0
[M+K]+	273.111218	156.5
[M+H-H2O]+	217.145320	145.5
[M+HCOO]-	279.146261	172.0
[M+CH3COO]-	293.161911	192.7
[M+Na-2H]-	255.122726	159.3
[M]+	234.14751142	149.9
[M]-	234.14860858	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe