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]+ 250.10086 154.9
[M+Na]+ 272.08280 166.4
[M-H]- 248.08630 158.9
[M+NH4]+ 267.12740 174.5
[M+K]+ 288.05674 161.5
[M+H-H2O]+ 232.09084 149.1
[M+HCOO]- 294.09178 174.0
[M+CH3COO]- 308.10743 200.5
[M+Na-2H]- 270.06825 154.7
[M]+ 249.09303 158.5
[M]- 249.09413 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.