CID 511721

Chembl2397705

Structural Information

Molecular Formula

C₁₄H₉ClN₂S

SMILES

C1=CC=C2C(=C1)C(=NS2)N=CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C14H9ClN2S/c15-11-5-3-4-10(8-11)9-16-14-12-6-1-2-7-13(12)18-17-14/h1-9H

InChIKey

OHLKLNXASMACLD-UHFFFAOYSA-N

Compound name

N-(1,2-benzothiazol-3-yl)-1-(3-chlorophenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 272.0175 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]+	273.02478	157.9
[M+Na]+	295.00672	170.4
[M-H]-	271.01022	166.6
[M+NH4]+	290.05132	178.0
[M+K]+	310.98066	163.5
[M+H-H2O]+	255.01476	151.1
[M+HCOO]-	317.01570	176.2
[M+CH3COO]-	331.03135	171.9
[M+Na-2H]-	292.99217	163.2
[M]+	272.01695	164.2
[M]-	272.01805	164.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.