CID 613528

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

Structural Information

Molecular Formula
C10H11N3OS
SMILES
CC1=CC(=NC2=C1C(=C(S2)C(=O)N)N)C
InChI
InChI=1S/C10H11N3OS/c1-4-3-5(2)13-10-6(4)7(11)8(15-10)9(12)14/h3H,11H2,1-2H3,(H2,12,14)
InChIKey
SDMLKCQDZJOSDN-UHFFFAOYSA-N
Compound name
3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

47
Patents

221.06229 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06957 145.8
[M+Na]+ 244.05151 157.3
[M-H]- 220.05501 149.8
[M+NH4]+ 239.09611 166.2
[M+K]+ 260.02545 152.9
[M+H-H2O]+ 204.05955 140.0
[M+HCOO]- 266.06049 165.6
[M+CH3COO]- 280.07614 193.2
[M+Na-2H]- 242.03696 147.2
[M]+ 221.06174 148.3
[M]- 221.06284 148.3
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