CID 737082

4-amino-3-phenyl-1h-1,2,4-triazole-5(4h)-thione

Structural Information

Molecular Formula
C8H8N4S
SMILES
C1=CC=C(C=C1)C2=NNC(=S)N2N
InChI
InChI=1S/C8H8N4S/c9-12-7(10-11-8(12)13)6-4-2-1-3-5-6/h1-5H,9H2,(H,11,13)
InChIKey
OKNHZPGPLNUEPC-UHFFFAOYSA-N
Compound name
4-amino-3-phenyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

229
Patents

192.04697 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05425 138.0
[M+Na]+ 215.03619 149.1
[M-H]- 191.03969 140.3
[M+NH4]+ 210.08079 155.2
[M+K]+ 231.01013 143.3
[M+H-H2O]+ 175.04423 130.6
[M+HCOO]- 237.04517 155.4
[M+CH3COO]- 251.06082 150.8
[M+Na-2H]- 213.02164 140.9
[M]+ 192.04642 136.3
[M]- 192.04752 136.3
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