CID 24710736

2-{3-oxo-2h,3h-[1,2,4]triazolo[4,3-a]pyridin-2-yl}ethanethioamide

Structural Information

Molecular Formula
C8H8N4OS
SMILES
C1=CC2=NN(C(=O)N2C=C1)CC(=S)N
InChI
InChI=1S/C8H8N4OS/c9-6(14)5-12-8(13)11-4-2-1-3-7(11)10-12/h1-4H,5H2,(H2,9,14)
InChIKey
ZEYBCNRGCKVFNL-UHFFFAOYSA-N
Compound name
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04189 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04917 141.0
[M+Na]+ 231.03111 153.2
[M-H]- 207.03461 142.6
[M+NH4]+ 226.07571 159.4
[M+K]+ 247.00505 148.8
[M+H-H2O]+ 191.03915 134.2
[M+HCOO]- 253.04009 159.1
[M+CH3COO]- 267.05574 154.4
[M+Na-2H]- 229.01656 145.0
[M]+ 208.04134 144.1
[M]- 208.04244 144.1
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.