CID 3745694

1-amino-4-phenyl-1h-imidazole-2-thiol

Structural Information

Molecular Formula
C9H9N3S
SMILES
C1=CC=C(C=C1)C2=CN(C(=S)N2)N
InChI
InChI=1S/C9H9N3S/c10-12-6-8(11-9(12)13)7-4-2-1-3-5-7/h1-6H,10H2,(H,11,13)
InChIKey
ZDIHAIJCTCESGY-UHFFFAOYSA-N
Compound name
3-amino-5-phenyl-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

191.05171 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05899 138.8
[M+Na]+ 214.04093 151.4
[M+NH4]+ 209.08553 147.3
[M+K]+ 230.01487 144.8
[M-H]- 190.04443 142.0
[M+Na-2H]- 212.02638 146.1
[M]+ 191.05116 141.8
[M]- 191.05226 141.8
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