CID 3819305

N-(4-ethoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine

Structural Information

Molecular Formula

C₁₂H₁₆N₂OS

SMILES

CCOC1=CC=C(C=C1)NC2=NC(CS2)C

InChI

InChI=1S/C12H16N2OS/c1-3-15-11-6-4-10(5-7-11)14-12-13-9(2)8-16-12/h4-7,9H,3,8H2,1-2H3,(H,13,14)

InChIKey

MXGRIMRRGLUNLL-UHFFFAOYSA-N

Compound name

N-(4-ethoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 236.09833 Da
Monoisotopic Mass: 2.5
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]+	237.105606	151.8
[M+Na]+	259.087548	159.9
[M-H]-	235.091054	157.7
[M+NH4]+	254.132153	170.8
[M+K]+	275.061488	156.3
[M+H-H2O]+	219.095590	144.6
[M+HCOO]-	281.096531	171.2
[M+CH3COO]-	295.112181	191.1
[M+Na-2H]-	257.072996	153.4
[M]+	236.09778142	153.9
[M]-	236.09887858	153.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.