CID 3037958

4923-02-8

Structural Information

Molecular Formula
C7H7N5S
SMILES
C1=CN=CC=C1C2=NC(=S)NN2N
InChI
InChI=1S/C7H7N5S/c8-12-6(10-7(13)11-12)5-1-3-9-4-2-5/h1-4H,8H2,(H,11,13)
InChIKey
CLLIRGCEQYSYFS-UHFFFAOYSA-N
Compound name
2-amino-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 138.2
[M+Na]+ 216.03144 149.8
[M-H]- 192.03494 139.3
[M+NH4]+ 211.07604 153.9
[M+K]+ 232.00538 144.0
[M+H-H2O]+ 176.03948 130.3
[M+HCOO]- 238.04042 154.6
[M+CH3COO]- 252.05607 150.6
[M+Na-2H]- 214.01689 141.4
[M]+ 193.04167 136.6
[M]- 193.04277 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.