CID 3065540

Isothiazolo(5,4-b)pyridin-3(2h)-one, 2-acetyl-4,6-dimethyl-, 1,1-dioxide

Structural Information

Molecular Formula
C10H10N2O4S
SMILES
CC1=CC(=NC2=C1C(=O)N(S2(=O)=O)C(=O)C)C
InChI
InChI=1S/C10H10N2O4S/c1-5-4-6(2)11-9-8(5)10(14)12(7(3)13)17(9,15)16/h4H,1-3H3
InChIKey
YYZJEMSIPAASOJ-UHFFFAOYSA-N
Compound name
2-acetyl-4,6-dimethyl-1,1-dioxo-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.03613 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.043406 148.1
[M+Na]+ 277.025348 161.4
[M-H]- 253.028854 151.8
[M+NH4]+ 272.069953 168.8
[M+K]+ 292.999288 158.5
[M+H-H2O]+ 237.033390 143.6
[M+HCOO]- 299.034331 164.3
[M+CH3COO]- 313.049981 192.1
[M+Na-2H]- 275.010796 150.0
[M]+ 254.03558142 154.7
[M]- 254.03667858 154.7
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.