CID 3424064

1-(4-chlorophenyl)-n-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine

Structural Information

Molecular Formula

C₁₄H₁₃ClN₂S

SMILES

C1CCC2=C(C1)N=C(S2)N=CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H13ClN2S/c15-11-7-5-10(6-8-11)9-16-14-17-12-3-1-2-4-13(12)18-14/h5-9H,1-4H2

InChIKey

GUFUIKVCVBRCGU-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 276.0488 Da
Monoisotopic Mass: 4.3
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]+	277.056076	160.7
[M+Na]+	299.038018	170.0
[M-H]-	275.041524	168.2
[M+NH4]+	294.082623	180.4
[M+K]+	315.011958	163.8
[M+H-H2O]+	259.046060	153.8
[M+HCOO]-	321.047001	174.8
[M+CH3COO]-	335.062651	173.1
[M+Na-2H]-	297.023466	163.2
[M]+	276.04825142	162.8
[M]-	276.04934858	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.