CID 719823

36209-51-5

Structural Information

Molecular Formula
C7H7N5S
SMILES
C1=CN=CC=C1C2=NNC(=S)N2N
InChI
InChI=1S/C7H7N5S/c8-12-6(10-11-7(12)13)5-1-3-9-4-2-5/h1-4H,8H2,(H,11,13)
InChIKey
LHSIJUVRXSETDR-UHFFFAOYSA-N
Compound name
4-amino-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

101
Patents

193.04222 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04950 138.0
[M+Na]+ 216.03144 150.6
[M+NH4]+ 211.07604 145.1
[M+K]+ 232.00538 145.0
[M-H]- 192.03494 139.6
[M+Na-2H]- 214.01689 144.8
[M]+ 193.04167 140.4
[M]- 193.04277 140.4
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