CID 3065538

108361-80-4

Structural Information

Molecular Formula
C9H10N2O3S
SMILES
CC1=CC(=NC2=C1C(=O)N(S2(=O)=O)C)C
InChI
InChI=1S/C9H10N2O3S/c1-5-4-6(2)10-8-7(5)9(12)11(3)15(8,13)14/h4H,1-3H3
InChIKey
JLEDEIDCSZXLEJ-UHFFFAOYSA-N
Compound name
2,4,6-trimethyl-1,1-dioxo-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.04121 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04849 141.7
[M+Na]+ 249.03043 155.7
[M-H]- 225.03393 145.5
[M+NH4]+ 244.07503 163.8
[M+K]+ 265.00437 152.5
[M+H-H2O]+ 209.03847 137.2
[M+HCOO]- 271.03941 158.9
[M+CH3COO]- 285.05506 187.4
[M+Na-2H]- 247.01588 144.8
[M]+ 226.04066 147.9
[M]- 226.04176 147.9
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.