CID 207327

29650-20-2

Structural Information

Molecular Formula
C13H16N2O2S
SMILES
CCOC(=O)C1=C(SC2=C1CCN(C2)CC#C)N
InChI
InChI=1S/C13H16N2O2S/c1-3-6-15-7-5-9-10(8-15)18-12(14)11(9)13(16)17-4-2/h1H,4-8,14H2,2H3
InChIKey
JLEDGEOZHUVARQ-UHFFFAOYSA-N
Compound name
ethyl 2-amino-6-prop-2-ynyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.09326 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10054 156.1
[M+Na]+ 287.08248 165.0
[M+NH4]+ 282.12708 160.1
[M+K]+ 303.05642 156.6
[M-H]- 263.08598 149.0
[M+Na-2H]- 285.06793 155.3
[M]+ 264.09271 154.7
[M]- 264.09381 154.7
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

patents stripe