CID 854791

4-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1h-imidazole-2-thiol

Structural Information

Molecular Formula
C17H15ClN2S
SMILES
CC1=CC(=C(C=C1)C)N2C=C(NC2=S)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H15ClN2S/c1-11-3-4-12(2)16(9-11)20-10-15(19-17(20)21)13-5-7-14(18)8-6-13/h3-10H,1-2H3,(H,19,21)
InChIKey
YUOIDGIOCWNPPT-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-3-(2,5-dimethylphenyl)-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.06445 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07173 172.9
[M+Na]+ 337.05367 190.5
[M+NH4]+ 332.09827 182.3
[M+K]+ 353.02761 180.4
[M-H]- 313.05717 178.9
[M+Na-2H]- 335.03912 182.3
[M]+ 314.06390 178.2
[M]- 314.06500 178.2
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

No patent data available for this compound.