CID 6452730

Ethyl 2-amino-3-benzoyl-4,7-dihydrothieno(2,3-c)pyridine-6(5h)-carboxylate

Structural Information

Molecular Formula
C17H18N2O3S
SMILES
CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)C3=CC=CC=C3)N
InChI
InChI=1S/C17H18N2O3S/c1-2-22-17(21)19-9-8-12-13(10-19)23-16(18)14(12)15(20)11-6-4-3-5-7-11/h3-7H,2,8-10,18H2,1H3
InChIKey
PKXOLWAWDKBNCF-UHFFFAOYSA-N
Compound name
ethyl 2-amino-3-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.10382 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11110 176.5
[M+Na]+ 353.09304 182.9
[M-H]- 329.09654 182.2
[M+NH4]+ 348.13764 191.8
[M+K]+ 369.06698 178.8
[M+H-H2O]+ 313.10108 169.2
[M+HCOO]- 375.10202 190.6
[M+CH3COO]- 389.11767 208.3
[M+Na-2H]- 351.07849 174.7
[M]+ 330.10327 177.5
[M]- 330.10437 177.5
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

No patent data available for this compound.