CID 6861891

307329-51-7

Structural Information

Molecular Formula

C₁₆H₁₇ClN₄

SMILES

C1CN(CCN1C2=CC=C(C=C2)Cl)/N=C/C3=CC=NC=C3

InChI

InChI=1S/C16H17ClN4/c17-15-1-3-16(4-2-15)20-9-11-21(12-10-20)19-13-14-5-7-18-8-6-14/h1-8,13H,9-12H2/b19-13+

InChIKey

AAJNCMAXGCXPSF-CPNJWEJPSA-N

Compound name

(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 300.11417 Da
Monoisotopic Mass: 3.3
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]+	301.121446	170.6
[M+Na]+	323.103388	176.9
[M-H]-	299.106894	176.0
[M+NH4]+	318.147993	181.9
[M+K]+	339.077328	170.2
[M+H-H2O]+	283.111430	158.6
[M+HCOO]-	345.112371	185.0
[M+CH3COO]-	359.128021	180.1
[M+Na-2H]-	321.088836	175.8
[M]+	300.11362142	167.9
[M]-	300.11471858	167.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.