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]+ 209.049166 141.0
[M+Na]+ 231.031108 153.2
[M-H]- 207.034614 142.6
[M+NH4]+ 226.075713 159.4
[M+K]+ 247.005048 148.8
[M+H-H2O]+ 191.039150 134.2
[M+HCOO]- 253.040091 159.1
[M+CH3COO]- 267.055741 154.4
[M+Na-2H]- 229.016556 145.0
[M]+ 208.04134142 144.1
[M]- 208.04243858 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.