CID 9579157

N-benzo[b]thiophen-7-ylmethyl-n'-benzylidene-n-methyl-hydrazine

Structural Information

Molecular Formula

C₁₇H₁₆N₂S

SMILES

CN(CC1=CC=CC2=C1SC=C2)/N=C\C3=CC=CC=C3

InChI

InChI=1S/C17H16N2S/c1-19(18-12-14-6-3-2-4-7-14)13-16-9-5-8-15-10-11-20-17(15)16/h2-12H,13H2,1H3/b18-12-

InChIKey

YOQDAFXFWBBYEF-PDGQHHTCSA-N

Compound name

1-(1-benzothiophen-7-yl)-N-[(Z)-benzylideneamino]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 280.10342 Da
Monoisotopic Mass: 4.6
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]+	281.110696	163.6
[M+Na]+	303.092638	172.2
[M-H]-	279.096144	174.3
[M+NH4]+	298.137243	183.8
[M+K]+	319.066578	167.6
[M+H-H2O]+	263.100680	155.7
[M+HCOO]-	325.101621	188.2
[M+CH3COO]-	339.117271	177.0
[M+Na-2H]-	301.078086	168.7
[M]+	280.10287142	168.6
[M]-	280.10396858	168.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.