CID 2759656

17452-14-1

Structural Information

Molecular Formula

C₁₀H₁₀N₂OS

SMILES

COC1=CC=C(C=C1)N2C=CNC2=S

InChI

InChI=1S/C10H10N2OS/c1-13-9-4-2-8(3-5-9)12-7-6-11-10(12)14/h2-7H,1H3,(H,11,14)

InChIKey

LIEBCNQPMNARMP-UHFFFAOYSA-N

Compound name

3-(4-methoxyphenyl)-1H-imidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 40
Patents: 206.05139 Da
Monoisotopic Mass: 1.5
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]+	207.05867	143.5
[M+Na]+	229.04061	157.0
[M+NH4]+	224.08521	151.9
[M+K]+	245.01455	149.9
[M-H]-	205.04411	146.1
[M+Na-2H]-	227.02606	150.7
[M]+	206.05084	146.6
[M]-	206.05194	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe