CID 474816

Chembl106010

Structural Information

Molecular Formula
C15H12N2O4S
SMILES
CCOC(=O)C1=C(C2=C(S1)C=C(OC2=O)C3=CN=CC=C3)N
InChI
InChI=1S/C15H12N2O4S/c1-2-20-15(19)13-12(16)11-10(22-13)6-9(21-14(11)18)8-4-3-5-17-7-8/h3-7H,2,16H2,1H3
InChIKey
CNXIOQVBTGOAJF-UHFFFAOYSA-N
Compound name
ethyl 3-amino-4-oxo-6-pyridin-3-ylthieno[3,2-c]pyran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0518 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.059076 169.5
[M+Na]+ 339.041018 181.1
[M-H]- 315.044524 177.9
[M+NH4]+ 334.085623 184.7
[M+K]+ 355.014958 177.7
[M+H-H2O]+ 299.049060 162.5
[M+HCOO]- 361.050001 189.0
[M+CH3COO]- 375.065651 182.4
[M+Na-2H]- 337.026466 172.3
[M]+ 316.05125142 177.0
[M]- 316.05234858 177.0
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.