CID 401082

108361-84-8

Structural Information

Molecular Formula
C11H12N2O4S
SMILES
CC1=CC(=NC2=C1C(=O)N(S2(=O)=O)CC(=O)C)C
InChI
InChI=1S/C11H12N2O4S/c1-6-4-7(2)12-10-9(6)11(15)13(5-8(3)14)18(10,16)17/h4H,5H2,1-3H3
InChIKey
YIOSSSSJAJHOCJ-UHFFFAOYSA-N
Compound name
4,6-dimethyl-1,1-dioxo-2-(2-oxopropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0518 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05908 159.6
[M+Na]+ 291.04102 170.9
[M+NH4]+ 286.08562 166.9
[M+K]+ 307.01496 164.5
[M-H]- 267.04452 158.4
[M+Na-2H]- 289.02647 162.6
[M]+ 268.05125 161.2
[M]- 268.05235 161.2
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.