CID 28819524

Methyl 5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylate

Structural Information

Molecular Formula
C12H11NO3S
SMILES
CC1=C(SC2=C1C=C(C=N2)C(=O)C)C(=O)OC
InChI
InChI=1S/C12H11NO3S/c1-6-9-4-8(7(2)14)5-13-11(9)17-10(6)12(15)16-3/h4-5H,1-3H3
InChIKey
PIHBPKIULNRLHT-UHFFFAOYSA-N
Compound name
methyl 5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.04596 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.05324 152.5
[M+Na]+ 272.03518 163.8
[M-H]- 248.03868 157.2
[M+NH4]+ 267.07978 172.5
[M+K]+ 288.00912 161.0
[M+H-H2O]+ 232.04322 146.9
[M+HCOO]- 294.04416 170.7
[M+CH3COO]- 308.05981 192.8
[M+Na-2H]- 270.02063 153.6
[M]+ 249.04541 160.2
[M]- 249.04651 160.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.