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]+ 223.053576 144.3
[M+Na]+ 245.035518 158.0
[M-H]- 221.039024 148.3
[M+NH4]+ 240.080123 164.7
[M+K]+ 261.009458 154.4
[M+H-H2O]+ 205.043560 138.6
[M+HCOO]- 267.044501 162.7
[M+CH3COO]- 281.060151 187.9
[M+Na-2H]- 243.020966 146.4
[M]+ 222.04575142 151.4
[M]- 222.04684858 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