CID 2737191

667462-10-4

Structural Information

Molecular Formula

C₁₁H₁₆N₄O

SMILES

C1CN(CCN1)CC(=O)NC2=CN=CC=C2

InChI

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

InChIKey

KZDQSSWDBHIGIX-UHFFFAOYSA-N

Compound name

2-piperazin-1-yl-N-pyridin-3-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 220.13242 Da
Monoisotopic Mass: -0.2
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]+	221.13970	151.1
[M+Na]+	243.12164	161.5
[M+NH4]+	238.16624	157.6
[M+K]+	259.09558	155.8
[M-H]-	219.12514	152.8
[M+Na-2H]-	241.10709	157.6
[M]+	220.13187	152.6
[M]-	220.13297	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe