CID 463831

97055-45-3

Structural Information

Molecular Formula
C12H14N2O3S
SMILES
CCOC(=O)CN1C(=O)C2=C(S1)N=C(C=C2C)C
InChI
InChI=1S/C12H14N2O3S/c1-4-17-9(15)6-14-12(16)10-7(2)5-8(3)13-11(10)18-14/h5H,4,6H2,1-3H3
InChIKey
DKPDYTIODYWMNJ-UHFFFAOYSA-N
Compound name
ethyl 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

266.0725 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07978 156.8
[M+Na]+ 289.06172 169.3
[M-H]- 265.06522 160.3
[M+NH4]+ 284.10632 175.2
[M+K]+ 305.03566 165.7
[M+H-H2O]+ 249.06976 150.5
[M+HCOO]- 311.07070 174.7
[M+CH3COO]- 325.08635 195.9
[M+Na-2H]- 287.04717 158.1
[M]+ 266.07195 165.9
[M]- 266.07305 165.9
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.