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

literature stripe

Patent stripe

patents stripe