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]+ 255.04341 155.6
[M+Na]+ 277.02535 167.1
[M+NH4]+ 272.06995 163.1
[M+K]+ 292.99929 160.9
[M-H]- 253.02885 154.4
[M+Na-2H]- 275.01080 158.8
[M]+ 254.03558 157.2
[M]- 254.03668 157.2
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.