CID 5347702

N-((5-bromo-2-thienyl)methylene)-4-phenyl-1-piperazinamine

Structural Information

Molecular Formula

C₁₅H₁₆BrN₃S

SMILES

C1CN(CCN1C2=CC=CC=C2)/N=C/C3=CC=C(S3)Br

InChI

InChI=1S/C15H16BrN3S/c16-15-7-6-14(20-15)12-17-19-10-8-18(9-11-19)13-4-2-1-3-5-13/h1-7,12H,8-11H2/b17-12+

InChIKey

JVYSQNTYDVXITI-SFQUDFHCSA-N

Compound name

(E)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 349.02484 Da
Monoisotopic Mass: 4.8
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]+	350.032116	164.7
[M+Na]+	372.014058	175.1
[M-H]-	348.017564	175.3
[M+NH4]+	367.058663	181.9
[M+K]+	387.987998	162.5
[M+H-H2O]+	332.022100	162.8
[M+HCOO]-	394.023041	180.3
[M+CH3COO]-	408.038691	177.9
[M+Na-2H]-	369.999506	167.6
[M]+	349.02429142	181.8
[M]-	349.02538858	181.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe