CID 3065539

Isothiazolo(5,4-b)pyridine-2(3h)-acetic acid, 4,6-dimethyl-3-oxo-, methyl ester, 1,1-dioxide

Structural Information

Molecular Formula
C11H12N2O5S
SMILES
CC1=CC(=NC2=C1C(=O)N(S2(=O)=O)CC(=O)OC)C
InChI
InChI=1S/C11H12N2O5S/c1-6-4-7(2)12-10-9(6)11(15)13(19(10,16)17)5-8(14)18-3/h4H,5H2,1-3H3
InChIKey
ZZRJDQOXERQEJX-UHFFFAOYSA-N
Compound name
methyl 2-(4,6-dimethyl-1,1,3-trioxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0467 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.05398 162.9
[M+Na]+ 307.03592 173.6
[M+NH4]+ 302.08052 169.6
[M+K]+ 323.00986 167.8
[M-H]- 283.03942 161.2
[M+Na-2H]- 305.02137 165.5
[M]+ 284.04615 164.2
[M]- 284.04725 164.2
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.