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 165.0
[M+Na]+ 303.09264 181.4
[M+NH4]+ 298.13724 174.2
[M+K]+ 319.06658 172.2
[M-H]- 279.09614 171.0
[M+Na-2H]- 301.07809 174.8
[M]+ 280.10287 169.8
[M]- 280.10397 169.8
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.