CID 3006085

Chembl562209

Structural Information

Molecular Formula
C17H17N3S
SMILES
CC1=CC(=CC=C1)NN2C(=C(NC2=S)C)C3=CC=CC=C3
InChI
InChI=1S/C17H17N3S/c1-12-7-6-10-15(11-12)19-20-16(13(2)18-17(20)21)14-8-4-3-5-9-14/h3-11,19H,1-2H3,(H,18,21)
InChIKey
GZIBFKNNCKHPCZ-UHFFFAOYSA-N
Compound name
5-methyl-3-(3-methylanilino)-4-phenyl-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

295.11432 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12160 167.7
[M+Na]+ 318.10354 177.9
[M-H]- 294.10704 174.8
[M+NH4]+ 313.14814 182.4
[M+K]+ 334.07748 169.8
[M+H-H2O]+ 278.11158 159.4
[M+HCOO]- 340.11252 185.5
[M+CH3COO]- 354.12817 179.2
[M+Na-2H]- 316.08899 168.3
[M]+ 295.11377 168.0
[M]- 295.11487 168.0
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.