CID 24695080

2-(1h-1,2,4-triazol-1-yl)pyridine-4-carbothioamide

Structural Information

Molecular Formula
C8H7N5S
SMILES
C1=CN=C(C=C1C(=S)N)N2C=NC=N2
InChI
InChI=1S/C8H7N5S/c9-8(14)6-1-2-11-7(3-6)13-5-10-4-12-13/h1-5H,(H2,9,14)
InChIKey
PXGFGGIMMAZCHH-UHFFFAOYSA-N
Compound name
2-(1,2,4-triazol-1-yl)pyridine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.04222 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04950 141.0
[M+Na]+ 228.03144 153.2
[M+NH4]+ 223.07604 148.2
[M+K]+ 244.00538 147.8
[M-H]- 204.03494 142.8
[M+Na-2H]- 226.01689 148.2
[M]+ 205.04167 143.5
[M]- 205.04277 143.5
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.