CID 690639

1-(2-phenylethyl)-1h-imidazole-2-thiol

Structural Information

Molecular Formula
C11H12N2S
SMILES
C1=CC=C(C=C1)CCN2C=CNC2=S
InChI
InChI=1S/C11H12N2S/c14-11-12-7-9-13(11)8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,12,14)
InChIKey
XBZXYFCIMSXPKA-UHFFFAOYSA-N
Compound name
3-(2-phenylethyl)-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4
Patents

204.07211 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07939 144.0
[M+Na]+ 227.06133 157.5
[M+NH4]+ 222.10593 152.9
[M+K]+ 243.03527 149.5
[M-H]- 203.06483 147.1
[M+Na-2H]- 225.04678 151.8
[M]+ 204.07156 147.3
[M]- 204.07266 147.3
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

patents stripe