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]+ 269.059076 152.3
[M+Na]+ 291.041018 165.0
[M-H]- 267.044524 155.7
[M+NH4]+ 286.085623 172.4
[M+K]+ 307.014958 161.9
[M+H-H2O]+ 251.049060 147.6
[M+HCOO]- 313.050001 168.2
[M+CH3COO]- 327.065651 195.7
[M+Na-2H]- 289.026466 153.8
[M]+ 268.05125142 159.4
[M]- 268.05234858 159.4
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.