CID 12008723

1-cyclopropyl-5-phenyl-1h-imidazole-2-thiol

Structural Information

Molecular Formula
C12H12N2S
SMILES
C1CC1N2C(=CNC2=S)C3=CC=CC=C3
InChI
InChI=1S/C12H12N2S/c15-12-13-8-11(14(12)10-6-7-10)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,13,15)
InChIKey
OOKLTVQKMMNYSC-UHFFFAOYSA-N
Compound name
3-cyclopropyl-4-phenyl-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.07211 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.079386 143.8
[M+Na]+ 239.061328 155.4
[M-H]- 215.064834 150.9
[M+NH4]+ 234.105933 157.0
[M+K]+ 255.035268 149.0
[M+H-H2O]+ 199.069370 136.5
[M+HCOO]- 261.070311 161.7
[M+CH3COO]- 275.085961 156.4
[M+Na-2H]- 237.046776 145.6
[M]+ 216.07156142 145.5
[M]- 216.07265858 145.5
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.