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 152.3
[M+Na]+ 291.04102 165.0
[M-H]- 267.04452 155.7
[M+NH4]+ 286.08562 172.4
[M+K]+ 307.01496 161.9
[M+H-H2O]+ 251.04906 147.6
[M+HCOO]- 313.05000 168.2
[M+CH3COO]- 327.06565 195.7
[M+Na-2H]- 289.02647 153.8
[M]+ 268.05125 159.4
[M]- 268.05235 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.