CID 611038

2-amino-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide

Structural Information

Molecular Formula
C9H13N3OS
SMILES
CN1CCC2=C(C1)SC(=C2C(=O)N)N
InChI
InChI=1S/C9H13N3OS/c1-12-3-2-5-6(4-12)14-9(11)7(5)8(10)13/h2-4,11H2,1H3,(H2,10,13)
InChIKey
RKGNQBHEDRIANC-UHFFFAOYSA-N
Compound name
2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

56
Patents

211.07793 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.085206 144.1
[M+Na]+ 234.067148 152.1
[M-H]- 210.070654 146.6
[M+NH4]+ 229.111753 164.3
[M+K]+ 250.041088 148.7
[M+H-H2O]+ 194.075190 138.3
[M+HCOO]- 256.076131 159.9
[M+CH3COO]- 270.091781 190.0
[M+Na-2H]- 232.052596 144.1
[M]+ 211.07738142 141.6
[M]- 211.07847858 141.6
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