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 171.0
[M+Na]+ 337.05367 183.5
[M-H]- 313.05717 178.3
[M+NH4]+ 332.09827 186.4
[M+K]+ 353.02761 174.4
[M+H-H2O]+ 297.06171 163.6
[M+HCOO]- 359.06265 183.0
[M+CH3COO]- 373.07830 183.0
[M+Na-2H]- 335.03912 169.5
[M]+ 314.06390 174.3
[M]- 314.06500 174.3
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.