CID 719485

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

Structural Information

Molecular Formula
C17H16N2S
SMILES
CC1=CC(=C(C=C1)C)N2C=C(NC2=S)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2S/c1-12-8-9-13(2)16(10-12)19-11-15(18-17(19)20)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,18,20)
InChIKey
FACFYWXHBCSAFA-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylphenyl)-5-phenyl-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.10342 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.110696 163.9
[M+Na]+ 303.092638 175.1
[M-H]- 279.096144 171.1
[M+NH4]+ 298.137243 179.6
[M+K]+ 319.066578 167.3
[M+H-H2O]+ 263.100680 156.0
[M+HCOO]- 325.101621 180.8
[M+CH3COO]- 339.117271 176.1
[M+Na-2H]- 301.078086 163.7
[M]+ 280.10287142 164.8
[M]- 280.10396858 164.8
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.