CID 2737189

682802-93-3

Structural Information

Molecular Formula

C₁₁H₁₆N₄O

SMILES

C1CN(CCN1)CC(=O)NC2=CC=CC=N2

InChI

InChI=1S/C11H16N4O/c16-11(9-15-7-5-12-6-8-15)14-10-3-1-2-4-13-10/h1-4,12H,5-9H2,(H,13,14,16)

InChIKey

JHURQEKVEICNHC-UHFFFAOYSA-N

Compound name

2-piperazin-1-yl-N-pyridin-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 220.13242 Da
Monoisotopic Mass: 0.0
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]+	221.139696	150.7
[M+Na]+	243.121638	154.2
[M-H]-	219.125144	150.6
[M+NH4]+	238.166243	163.0
[M+K]+	259.095578	150.5
[M+H-H2O]+	203.129680	140.9
[M+HCOO]-	265.130621	166.7
[M+CH3COO]-	279.146271	186.0
[M+Na-2H]-	241.107086	156.4
[M]+	220.13187142	143.4
[M]-	220.13296858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe