CID 463849

2-(2-hydroxyethyl)-4,6-dimethyl-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one

Structural Information

Molecular Formula
C10H12N2O4S
SMILES
CC1=CC(=NC2=C1C(=O)N(S2(=O)=O)CCO)C
InChI
InChI=1S/C10H12N2O4S/c1-6-5-7(2)11-9-8(6)10(14)12(3-4-13)17(9,15)16/h5,13H,3-4H2,1-2H3
InChIKey
LJXLHRMFKUOZCE-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethyl)-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

1
References

0
Patents

256.0518 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.05908 150.1
[M+Na]+ 279.04102 162.8
[M-H]- 255.04452 152.1
[M+NH4]+ 274.08562 170.1
[M+K]+ 295.01496 159.1
[M+H-H2O]+ 239.04906 145.5
[M+HCOO]- 301.05000 165.6
[M+CH3COO]- 315.06565 190.2
[M+Na-2H]- 277.02647 152.5
[M]+ 256.05125 156.2
[M]- 256.05235 156.2
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.