CID 467591

2-chloro-6-(ethylthio)-4-pyridinecarboxamide

Structural Information

Molecular Formula
C8H9ClN2OS
SMILES
CCSC1=NC(=CC(=C1)C(=O)N)Cl
InChI
InChI=1S/C8H9ClN2OS/c1-2-13-7-4-5(8(10)12)3-6(9)11-7/h3-4H,2H2,1H3,(H2,10,12)
InChIKey
JMUPTDNZAPEEEN-UHFFFAOYSA-N
Compound name
2-chloro-6-ethylsulfanylpyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.0124 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.01968 141.8
[M+Na]+ 239.00162 151.3
[M-H]- 215.00512 144.2
[M+NH4]+ 234.04622 160.3
[M+K]+ 254.97556 146.5
[M+H-H2O]+ 199.00966 136.4
[M+HCOO]- 261.01060 155.2
[M+CH3COO]- 275.02625 186.9
[M+Na-2H]- 236.98707 143.6
[M]+ 216.01185 144.9
[M]- 216.01295 144.9
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.