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 150.3
[M+Na]+ 239.06133 165.5
[M+NH4]+ 234.10593 159.9
[M+K]+ 255.03527 158.9
[M-H]- 215.06483 161.4
[M+Na-2H]- 237.04678 160.8
[M]+ 216.07156 157.2
[M]- 216.07266 157.2
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.