CID 5347987

(e)-n-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine

Structural Information

Molecular Formula

C₁₇H₂₀ClN₃S

SMILES

CC1=CC=C(S1)/C=N/N2CCN(CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C17H20ClN3S/c1-14-6-7-16(22-14)12-19-21-10-8-20(9-11-21)13-15-4-2-3-5-17(15)18/h2-7,12H,8-11,13H2,1H3/b19-12+

InChIKey

IMIGDSCNHUFAJZ-XDHOZWIPSA-N

Compound name

(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 333.10666 Da
Monoisotopic Mass: 4.5
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]+	334.113936	178.6
[M+Na]+	356.095878	186.2
[M-H]-	332.099384	186.5
[M+NH4]+	351.140483	193.4
[M+K]+	372.069818	179.4
[M+H-H2O]+	316.103920	169.4
[M+HCOO]-	378.104861	190.4
[M+CH3COO]-	392.120511	188.9
[M+Na-2H]-	354.081326	176.9
[M]+	333.10611142	179.6
[M]-	333.10720858	179.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.