CID 5342900

304908-96-1

Structural Information

Molecular Formula

C₁₈H₂₀ClN₃

SMILES

C1CN(CCN1CC2=CC=CC=C2)/N=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN3/c19-18-8-6-16(7-9-18)14-20-22-12-10-21(11-13-22)15-17-4-2-1-3-5-17/h1-9,14H,10-13,15H2/b20-14+

InChIKey

FPOJNXYBFPHMSF-XSFVSMFZSA-N

Compound name

(E)-N-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 313.13458 Da
Monoisotopic Mass: 4.1
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]+	314.141856	175.1
[M+Na]+	336.123798	180.6
[M-H]-	312.127304	181.6
[M+NH4]+	331.168403	187.3
[M+K]+	352.097738	173.7
[M+H-H2O]+	296.131840	163.8
[M+HCOO]-	358.132781	190.3
[M+CH3COO]-	372.148431	184.6
[M+Na-2H]-	334.109246	179.2
[M]+	313.13403142	172.7
[M]-	313.13512858	172.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.