CID 765847

3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide

Structural Information

Molecular Formula
C9H9N3OS
SMILES
CC1=NC2=C(C=C1)C(=C(S2)C(=O)N)N
InChI
InChI=1S/C9H9N3OS/c1-4-2-3-5-6(10)7(8(11)13)14-9(5)12-4/h2-3H,10H2,1H3,(H2,11,13)
InChIKey
PMCZITMCECKPEM-UHFFFAOYSA-N
Compound name
3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

23
Patents

207.04663 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05391 141.0
[M+Na]+ 230.03585 152.1
[M-H]- 206.03935 144.8
[M+NH4]+ 225.08045 161.7
[M+K]+ 246.00979 148.0
[M+H-H2O]+ 190.04389 135.2
[M+HCOO]- 252.04483 161.2
[M+CH3COO]- 266.06048 189.0
[M+Na-2H]- 228.02130 143.7
[M]+ 207.04608 142.8
[M]- 207.04718 142.8
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