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]+ 317.05908 169.5
[M+Na]+ 339.04102 181.1
[M-H]- 315.04452 177.9
[M+NH4]+ 334.08562 184.7
[M+K]+ 355.01496 177.7
[M+H-H2O]+ 299.04906 162.5
[M+HCOO]- 361.05000 189.0
[M+CH3COO]- 375.06565 182.4
[M+Na-2H]- 337.02647 172.3
[M]+ 316.05125 177.0
[M]- 316.05235 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.