CID 3022079

93103-19-6

Structural Information

Molecular Formula

C₁₀H₁₀N₂S

SMILES

CC1=CC=C(C=C1)C2=CNC(=S)N2

InChI

InChI=1S/C10H10N2S/c1-7-2-4-8(5-3-7)9-6-11-10(13)12-9/h2-6H,1H3,(H2,11,12,13)

InChIKey

HDMTYMPLHXYKEF-UHFFFAOYSA-N

Compound name

4-(4-methylphenyl)-1,3-dihydroimidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 190.05647 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]+	191.06375	140.1
[M+Na]+	213.04569	153.6
[M+NH4]+	208.09029	148.8
[M+K]+	229.01963	146.4
[M-H]-	189.04919	142.8
[M+Na-2H]-	211.03114	147.2
[M]+	190.05592	143.2
[M]-	190.05702	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe