CID 2816723

Isothiazolo(5,4-b)pyridin-3(2h)-one, 2-acetyl-4,6-dimethyl-

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
CC1=CC(=NC2=C1C(=O)N(S2)C(=O)C)C
InChI
InChI=1S/C10H10N2O2S/c1-5-4-6(2)11-9-8(5)10(14)12(15-9)7(3)13/h4H,1-3H3
InChIKey
KGXOUAFSIHRDIX-UHFFFAOYSA-N
Compound name
2-acetyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

222.0463 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05358 144.3
[M+Na]+ 245.03552 158.0
[M-H]- 221.03902 148.3
[M+NH4]+ 240.08012 164.7
[M+K]+ 261.00946 154.4
[M+H-H2O]+ 205.04356 138.6
[M+HCOO]- 267.04450 162.7
[M+CH3COO]- 281.06015 187.9
[M+Na-2H]- 243.02097 146.4
[M]+ 222.04575 151.4
[M]- 222.04685 151.4
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

patents stripe