CID 2404813

565167-99-9

Structural Information

Molecular Formula

C₁₂H₁₆N₂S

SMILES

CC1=CC=C(C=C1)NC2=NC(CS2)(C)C

InChI

InChI=1S/C12H16N2S/c1-9-4-6-10(7-5-9)13-11-14-12(2,3)8-15-11/h4-7H,8H2,1-3H3,(H,13,14)

InChIKey

MADFAEUOLHCZLP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 220.10342 Da
Monoisotopic Mass: 2.7
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]+	221.11070	148.6
[M+Na]+	243.09264	160.8
[M+NH4]+	238.13724	159.6
[M+K]+	259.06658	151.4
[M-H]-	219.09614	153.3
[M+Na-2H]-	241.07809	157.7
[M]+	220.10287	152.3
[M]-	220.10397	152.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.