CID 695482

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

Structural Information

Molecular Formula
C11H13N3OS
SMILES
CC1=C(C2=C(N=C1C)SC(=C2N)C(=O)N)C
InChI
InChI=1S/C11H13N3OS/c1-4-5(2)7-8(12)9(10(13)15)16-11(7)14-6(4)3/h12H2,1-3H3,(H2,13,15)
InChIKey
WSQCQUQIQLFVKF-UHFFFAOYSA-N
Compound name
3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

235.07793 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08521 150.5
[M+Na]+ 258.06715 162.4
[M-H]- 234.07065 154.6
[M+NH4]+ 253.11175 170.6
[M+K]+ 274.04109 157.8
[M+H-H2O]+ 218.07519 144.8
[M+HCOO]- 280.07613 169.8
[M+CH3COO]- 294.09178 197.5
[M+Na-2H]- 256.05260 150.7
[M]+ 235.07738 153.7
[M]- 235.07848 153.7
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