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]+ 283.089946 163.2
[M+Na]+ 305.071888 173.7
[M-H]- 281.075394 170.2
[M+NH4]+ 300.116493 178.4
[M+K]+ 321.045828 166.7
[M+H-H2O]+ 265.079930 155.0
[M+HCOO]- 327.080871 180.6
[M+CH3COO]- 341.096521 175.2
[M+Na-2H]- 303.057336 164.2
[M]+ 282.08212142 164.7
[M]- 282.08321858 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.