CID 45792028

Ethyl 5-cyano-3-methylthieno[2,3-b]pyridine-2-carboxylate

Structural Information

Molecular Formula
C12H10N2O2S
SMILES
CCOC(=O)C1=C(C2=C(S1)N=CC(=C2)C#N)C
InChI
InChI=1S/C12H10N2O2S/c1-3-16-12(15)10-7(2)9-4-8(5-13)6-14-11(9)17-10/h4,6H,3H2,1-2H3
InChIKey
WAUIWMIMPBSLCS-UHFFFAOYSA-N
Compound name
ethyl 5-cyano-3-methylthieno[2,3-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.0463 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05358 149.2
[M+Na]+ 269.03552 161.6
[M+NH4]+ 264.08012 154.0
[M+K]+ 285.00946 152.3
[M-H]- 245.03902 143.4
[M+Na-2H]- 267.02097 151.9
[M]+ 246.04575 148.9
[M]- 246.04685 148.9
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

No patent data available for this compound.