CID 738547

3652-32-2

Structural Information

Molecular Formula
C8H8N4S
SMILES
CN1C(=NNC1=S)C2=CC=NC=C2
InChI
InChI=1S/C8H8N4S/c1-12-7(10-11-8(12)13)6-2-4-9-5-3-6/h2-5H,1H3,(H,11,13)
InChIKey
ACDUEIIMRXEFHO-UHFFFAOYSA-N
Compound name
4-methyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

114
Patents

192.04697 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05425 139.7
[M+Na]+ 215.03619 153.7
[M+NH4]+ 210.08079 147.4
[M+K]+ 231.01013 147.1
[M-H]- 191.03969 141.3
[M+Na-2H]- 213.02164 146.9
[M]+ 192.04642 142.5
[M]- 192.04752 142.5
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