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]+ 270.03502 155.8
[M+Na]+ 292.01696 168.9
[M-H]- 268.02046 160.8
[M+NH4]+ 287.06156 176.5
[M+K]+ 307.99090 164.0
[M+H-H2O]+ 252.02500 151.2
[M+HCOO]- 314.02594 170.0
[M+CH3COO]- 328.04159 195.6
[M+Na-2H]- 290.00241 156.7
[M]+ 269.02719 165.7
[M]- 269.02829 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.