CID 208409

Alpha-acetamidothio-2-pyridineacetamide

Structural Information

Molecular Formula
C9H11N3O2S
SMILES
CC(=O)NSC(C1=CC=CC=N1)C(=O)N
InChI
InChI=1S/C9H11N3O2S/c1-6(13)12-15-8(9(10)14)7-4-2-3-5-11-7/h2-5,8H,1H3,(H2,10,14)(H,12,13)
InChIKey
PGEJXWOZKYIAJF-UHFFFAOYSA-N
Compound name
2-acetamidosulfanyl-2-pyridin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0572 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06448 148.3
[M+Na]+ 248.04642 153.7
[M-H]- 224.04992 149.9
[M+NH4]+ 243.09102 164.3
[M+K]+ 264.02036 151.3
[M+H-H2O]+ 208.05446 140.8
[M+HCOO]- 270.05540 165.3
[M+CH3COO]- 284.07105 191.2
[M+Na-2H]- 246.03187 149.8
[M]+ 225.05665 147.8
[M]- 225.05775 147.8
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.