CID 753694

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

Structural Information

Molecular Formula
C11H12N2O2S
SMILES
CC1=CC(=NC2=C1C(=C(S2)C(=O)OC)N)C
InChI
InChI=1S/C11H12N2O2S/c1-5-4-6(2)13-10-7(5)8(12)9(16-10)11(14)15-3/h4H,12H2,1-3H3
InChIKey
ZMZJLJJFYBUPKH-UHFFFAOYSA-N
Compound name
methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

20
Patents

236.06195 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06923 149.7
[M+Na]+ 259.05117 161.6
[M-H]- 235.05467 154.2
[M+NH4]+ 254.09577 170.2
[M+K]+ 275.02511 158.0
[M+H-H2O]+ 219.05921 144.1
[M+HCOO]- 281.06015 169.2
[M+CH3COO]- 295.07580 193.2
[M+Na-2H]- 257.03662 151.2
[M]+ 236.06140 155.6
[M]- 236.06250 155.6
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