CID 207325

29650-19-9

Structural Information

Molecular Formula
C13H18N2O2S
SMILES
CCOC(=O)C1=C(SC2=C1CCN(C2)CC=C)N
InChI
InChI=1S/C13H18N2O2S/c1-3-6-15-7-5-9-10(8-15)18-12(14)11(9)13(16)17-4-2/h3H,1,4-8,14H2,2H3
InChIKey
ZAHMZLHXDSMBSX-UHFFFAOYSA-N
Compound name
ethyl 2-amino-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1089 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11618 161.7
[M+Na]+ 289.09812 170.4
[M+NH4]+ 284.14272 169.1
[M+K]+ 305.07206 164.6
[M-H]- 265.10162 162.5
[M+Na-2H]- 287.08357 163.1
[M]+ 266.10835 163.3
[M]- 266.10945 163.3
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.