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]+ 217.07939 143.8
[M+Na]+ 239.06133 155.4
[M-H]- 215.06483 150.9
[M+NH4]+ 234.10593 157.0
[M+K]+ 255.03527 149.0
[M+H-H2O]+ 199.06937 136.5
[M+HCOO]- 261.07031 161.7
[M+CH3COO]- 275.08596 156.4
[M+Na-2H]- 237.04678 145.6
[M]+ 216.07156 145.5
[M]- 216.07266 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.