CID 463820

2-(4,6-dimethyl-3-oxo-isothiazolo[5,4-b]pyridin-2-yl)acetamide

Structural Information

Molecular Formula
C10H11N3O2S
SMILES
CC1=CC(=NC2=C1C(=O)N(S2)CC(=O)N)C
InChI
InChI=1S/C10H11N3O2S/c1-5-3-6(2)12-9-8(5)10(15)13(16-9)4-7(11)14/h3H,4H2,1-2H3,(H2,11,14)
InChIKey
IWTBPLHGVQWMKZ-UHFFFAOYSA-N
Compound name
2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.0572 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06448 149.1
[M+Na]+ 260.04642 161.7
[M-H]- 236.04992 152.4
[M+NH4]+ 255.09102 168.1
[M+K]+ 276.02036 157.5
[M+H-H2O]+ 220.05446 142.9
[M+HCOO]- 282.05540 167.7
[M+CH3COO]- 296.07105 192.9
[M+Na-2H]- 258.03187 150.9
[M]+ 237.05665 154.5
[M]- 237.05775 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.