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

13
Patents

190.05647 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06375 138.7
[M+Na]+ 213.04569 149.2
[M-H]- 189.04919 141.2
[M+NH4]+ 208.09029 157.2
[M+K]+ 229.01963 143.0
[M+H-H2O]+ 173.05373 132.4
[M+HCOO]- 235.05467 154.9
[M+CH3COO]- 249.07032 151.5
[M+Na-2H]- 211.03114 140.5
[M]+ 190.05592 137.1
[M]- 190.05702 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