CID 334460

Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

Structural Information

Molecular Formula
C12H14N2O2S
SMILES
CCOC(=O)C1=C(C2=C(S1)N=C(C=C2C)C)N
InChI
InChI=1S/C12H14N2O2S/c1-4-16-12(15)10-9(13)8-6(2)5-7(3)14-11(8)17-10/h5H,4,13H2,1-3H3
InChIKey
NUXMTIQMQARQAV-UHFFFAOYSA-N
Compound name
ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

25
Patents

250.0776 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.084876 154.3
[M+Na]+ 273.066818 165.7
[M-H]- 249.070324 158.6
[M+NH4]+ 268.111423 174.2
[M+K]+ 289.040758 161.9
[M+H-H2O]+ 233.074860 148.5
[M+HCOO]- 295.075801 173.4
[M+CH3COO]- 309.091451 196.2
[M+Na-2H]- 271.052266 155.2
[M]+ 250.07705142 160.5
[M]- 250.07814858 160.5
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

patents stripe