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 158.7
[M+Na]+ 269.03552 172.1
[M-H]- 245.03902 162.7
[M+NH4]+ 264.08012 176.9
[M+K]+ 285.00946 167.5
[M+H-H2O]+ 229.04356 146.1
[M+HCOO]- 291.04450 174.0
[M+CH3COO]- 305.06015 202.9
[M+Na-2H]- 267.02097 160.2
[M]+ 246.04575 160.3
[M]- 246.04685 160.3
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.