CID 291787

56242-67-2

Structural Information

Molecular Formula

C₁₀H₁₂N₂OS

SMILES

COC1=CC=C(C=C1)NC2=NCCS2

InChI

InChI=1S/C10H12N2OS/c1-13-9-4-2-8(3-5-9)12-10-11-6-7-14-10/h2-5H,6-7H2,1H3,(H,11,12)

InChIKey

WEOIFJBMNPJTJC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 208.06703 Da
Monoisotopic Mass: 1.7
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]+	209.07431	143.7
[M+Na]+	231.05625	155.4
[M+NH4]+	226.10085	153.1
[M+K]+	247.03019	148.4
[M-H]-	207.05975	148.0
[M+Na-2H]-	229.04170	151.4
[M]+	208.06648	147.0
[M]-	208.06758	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe