CID 2378239

N-(2-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-thiazol-2-amine

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂S

SMILES

CC1(CSC(=N1)NC2=CC=CC=C2Cl)C

InChI

InChI=1S/C11H13ClN2S/c1-11(2)7-15-10(14-11)13-9-6-4-3-5-8(9)12/h3-6H,7H2,1-2H3,(H,13,14)

InChIKey

LTTMYELKHGQRAP-UHFFFAOYSA-N

Compound name

N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 240.0488 Da
Monoisotopic Mass: 2.9
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]+	241.056076	149.7
[M+Na]+	263.038018	159.8
[M-H]-	239.041524	155.8
[M+NH4]+	258.082623	171.4
[M+K]+	279.011958	154.5
[M+H-H2O]+	223.046060	144.1
[M+HCOO]-	285.047001	164.5
[M+CH3COO]-	299.062651	162.9
[M+Na-2H]-	261.023466	152.5
[M]+	240.04825142	152.2
[M]-	240.04934858	152.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.