CID 3065536

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

Structural Information

Molecular Formula
C8H8N2O3S
SMILES
CC1=CC(=NC2=C1C(=O)NS2(=O)=O)C
InChI
InChI=1S/C8H8N2O3S/c1-4-3-5(2)9-8-6(4)7(11)10-14(8,12)13/h3H,1-2H3,(H,10,11)
InChIKey
PXUHOFZMTYRIBX-UHFFFAOYSA-N
Compound name
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

212.02556 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03284 139.0
[M+Na]+ 235.01478 152.2
[M-H]- 211.01828 141.2
[M+NH4]+ 230.05938 160.7
[M+K]+ 250.98872 148.3
[M+H-H2O]+ 195.02282 134.6
[M+HCOO]- 257.02376 155.1
[M+CH3COO]- 271.03941 180.7
[M+Na-2H]- 233.00023 142.7
[M]+ 212.02501 142.6
[M]- 212.02611 142.6
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.