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]+ 227.048486 141.7
[M+Na]+ 249.030428 155.7
[M-H]- 225.033934 145.5
[M+NH4]+ 244.075033 163.8
[M+K]+ 265.004368 152.5
[M+H-H2O]+ 209.038470 137.2
[M+HCOO]- 271.039411 158.9
[M+CH3COO]- 285.055061 187.4
[M+Na-2H]- 247.015876 144.8
[M]+ 226.04066142 147.9
[M]- 226.04175858 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.