CID 3022079

2h-imidazole-2-thione, 1,3-dihydro-4-(4-methylphenyl)-

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

16
Patents

190.05647 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.063746 138.7
[M+Na]+ 213.045688 149.2
[M-H]- 189.049194 141.2
[M+NH4]+ 208.090293 157.2
[M+K]+ 229.019628 143.0
[M+H-H2O]+ 173.053730 132.4
[M+HCOO]- 235.054671 154.9
[M+CH3COO]- 249.070321 151.5
[M+Na-2H]- 211.031136 140.5
[M]+ 190.05592142 137.1
[M]- 190.05701858 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe