CID 2029938

827614-60-8

Structural Information

Molecular Formula

C₁₂H₁₇N₃O

SMILES

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

InChI

InChI=1S/C12H17N3O/c16-12(10-15-8-6-13-7-9-15)14-11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,14,16)

InChIKey

CRWKCZVMUKINKH-UHFFFAOYSA-N

Compound name

N-phenyl-2-piperazin-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 66
Patents: 219.13716 Da
Monoisotopic Mass: 1.2
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]+	220.14444	150.6
[M+Na]+	242.12638	153.7
[M-H]-	218.12988	151.8
[M+NH4]+	237.17098	164.4
[M+K]+	258.10032	150.0
[M+H-H2O]+	202.13442	141.5
[M+HCOO]-	264.13536	167.6
[M+CH3COO]-	278.15101	186.1
[M+Na-2H]-	240.11183	155.6
[M]+	219.13661	143.1
[M]-	219.13771	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe