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]+ 213.032836 139.0
[M+Na]+ 235.014778 152.2
[M-H]- 211.018284 141.2
[M+NH4]+ 230.059383 160.7
[M+K]+ 250.988718 148.3
[M+H-H2O]+ 195.022820 134.6
[M+HCOO]- 257.023761 155.1
[M+CH3COO]- 271.039411 180.7
[M+Na-2H]- 233.000226 142.7
[M]+ 212.02501142 142.6
[M]- 212.02610858 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.