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 151.3
[M+Na]+ 259.05117 163.5
[M+NH4]+ 254.09577 159.5
[M+K]+ 275.02511 157.8
[M-H]- 235.05467 153.2
[M+Na-2H]- 257.03662 155.6
[M]+ 236.06140 153.9
[M]- 236.06250 153.9
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

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