CID 16227602

Ethyl 6-chloro-3,4-dimethylthieno[2,3-b]pyridine-2-carboxylate

Structural Information

Molecular Formula
C12H12ClNO2S
SMILES
CCOC(=O)C1=C(C2=C(S1)N=C(C=C2C)Cl)C
InChI
InChI=1S/C12H12ClNO2S/c1-4-16-12(15)10-7(3)9-6(2)5-8(13)14-11(9)17-10/h5H,4H2,1-3H3
InChIKey
IGYCPQFKFIWYPV-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-3,4-dimethylthieno[2,3-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.02774 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.035016 155.8
[M+Na]+ 292.016958 168.9
[M-H]- 268.020464 160.8
[M+NH4]+ 287.061563 176.5
[M+K]+ 307.990898 164.0
[M+H-H2O]+ 252.025000 151.2
[M+HCOO]- 314.025941 170.0
[M+CH3COO]- 328.041591 195.6
[M+Na-2H]- 290.002406 156.7
[M]+ 269.02719142 165.7
[M]- 269.02828858 165.7
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.