CID 2323085

Ethyl 2-amino-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
CCN1CCC2=C(C1)SC(=C2C(=O)OCC)N
InChI
InChI=1S/C12H18N2O2S/c1-3-14-6-5-8-9(7-14)17-11(13)10(8)12(15)16-4-2/h3-7,13H2,1-2H3
InChIKey
HLWOSVMLHPRGML-UHFFFAOYSA-N
Compound name
ethyl 2-amino-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

254.1089 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11618 157.7
[M+Na]+ 277.09812 166.6
[M+NH4]+ 272.14272 165.6
[M+K]+ 293.07206 161.1
[M-H]- 253.10162 158.9
[M+Na-2H]- 275.08357 159.5
[M]+ 254.10835 159.4
[M]- 254.10945 159.4
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

patents stripe