CID 4586809

763124-65-8

Structural Information

Molecular Formula

C₂₀H₂₅N₃O

SMILES

CCC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O/c1-2-17-8-10-18(11-9-17)21-20(24)16-22-12-14-23(15-13-22)19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3,(H,21,24)

InChIKey

XTUPAIFUTHNIHK-UHFFFAOYSA-N

Compound name

N-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 323.19977 Da
Monoisotopic Mass: 3.6
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]+	324.207046	179.8
[M+Na]+	346.188988	182.9
[M-H]-	322.192494	185.3
[M+NH4]+	341.233593	190.0
[M+K]+	362.162928	177.4
[M+H-H2O]+	306.197030	168.4
[M+HCOO]-	368.197971	196.8
[M+CH3COO]-	382.213621	210.8
[M+Na-2H]-	344.174436	182.1
[M]+	323.19922142	175.0
[M]-	323.20031858	175.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.