CID 750440

3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

Structural Information

Molecular Formula
C12H15N3OS
SMILES
CCC1=C(C2=C(N=C1C)SC(=C2N)C(=O)N)C
InChI
InChI=1S/C12H15N3OS/c1-4-7-5(2)8-9(13)10(11(14)16)17-12(8)15-6(7)3/h4,13H2,1-3H3,(H2,14,16)
InChIKey
CWKMPZOEUOYQAU-UHFFFAOYSA-N
Compound name
3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

249.09358 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.100856 154.9
[M+Na]+ 272.082798 166.4
[M-H]- 248.086304 158.9
[M+NH4]+ 267.127403 174.5
[M+K]+ 288.056738 161.5
[M+H-H2O]+ 232.090840 149.1
[M+HCOO]- 294.091781 174.0
[M+CH3COO]- 308.107431 200.5
[M+Na-2H]- 270.068246 154.7
[M]+ 249.09303142 158.5
[M]- 249.09412858 158.5
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