CID 12885514

80809-37-6

Structural Information

Molecular Formula
C7H7N5S
SMILES
C1=CC=NC(=C1)C2=NNC(=S)N2N
InChI
InChI=1S/C7H7N5S/c8-12-6(10-11-7(12)13)5-3-1-2-4-9-5/h1-4H,8H2,(H,11,13)
InChIKey
QBQOSTNDZHXSKB-UHFFFAOYSA-N
Compound name
4-amino-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

24
Patents

193.04222 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.049496 138.2
[M+Na]+ 216.031438 149.8
[M-H]- 192.034944 139.3
[M+NH4]+ 211.076043 153.9
[M+K]+ 232.005378 144.0
[M+H-H2O]+ 176.039480 130.3
[M+HCOO]- 238.040421 154.6
[M+CH3COO]- 252.056071 150.6
[M+Na-2H]- 214.016886 141.4
[M]+ 193.04167142 136.6
[M]- 193.04276858 136.6
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