CID 4962043

1-(2-methoxyphenyl)-5-phenyl-1h-imidazole-2-thiol

Structural Information

Molecular Formula
C16H14N2OS
SMILES
COC1=CC=CC=C1N2C(=CNC2=S)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2OS/c1-19-15-10-6-5-9-13(15)18-14(11-17-16(18)20)12-7-3-2-4-8-12/h2-11H,1H3,(H,17,20)
InChIKey
LCWBURIJWSVRGX-UHFFFAOYSA-N
Compound name
3-(2-methoxyphenyl)-4-phenyl-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

282.08267 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08995 163.2
[M+Na]+ 305.07189 173.7
[M-H]- 281.07539 170.2
[M+NH4]+ 300.11649 178.4
[M+K]+ 321.04583 166.7
[M+H-H2O]+ 265.07993 155.0
[M+HCOO]- 327.08087 180.6
[M+CH3COO]- 341.09652 175.2
[M+Na-2H]- 303.05734 164.2
[M]+ 282.08212 164.7
[M]- 282.08322 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.