CID 853925

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

Structural Information

Molecular Formula
C17H16N2S
SMILES
CC1=CC(=C(C=C1)N2C=C(NC2=S)C3=CC=CC=C3)C
InChI
InChI=1S/C17H16N2S/c1-12-8-9-16(13(2)10-12)19-11-15(18-17(19)20)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,18,20)
InChIKey
OQXFXHNKQLIDIG-UHFFFAOYSA-N
Compound name
3-(2,4-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]+ 281.11070 163.9
[M+Na]+ 303.09264 175.1
[M-H]- 279.09614 171.1
[M+NH4]+ 298.13724 179.6
[M+K]+ 319.06658 167.3
[M+H-H2O]+ 263.10068 156.0
[M+HCOO]- 325.10162 180.8
[M+CH3COO]- 339.11727 176.1
[M+Na-2H]- 301.07809 163.7
[M]+ 280.10287 164.8
[M]- 280.10397 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.