CID 47002403

2-ethyl 5-methyl 3-aminothieno[2,3-b]pyridine-2,5-dicarboxylate

Structural Information

Molecular Formula
C12H12N2O4S
SMILES
CCOC(=O)C1=C(C2=C(S1)N=CC(=C2)C(=O)OC)N
InChI
InChI=1S/C12H12N2O4S/c1-3-18-12(16)9-8(13)7-4-6(11(15)17-2)5-14-10(7)19-9/h4-5H,3,13H2,1-2H3
InChIKey
UPEDPBITBARSKN-UHFFFAOYSA-N
Compound name
2-O-ethyl 5-O-methyl 3-aminothieno[2,3-b]pyridine-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.0518 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05908 161.3
[M+Na]+ 303.04102 171.6
[M+NH4]+ 298.08562 167.7
[M+K]+ 319.01496 167.3
[M-H]- 279.04452 161.6
[M+Na-2H]- 301.02647 164.4
[M]+ 280.05125 163.0
[M]- 280.05235 163.0
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.