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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.116176	161.2
[M+Na]+	289.098118	168.4
[M-H]-	265.101624	163.6
[M+NH4]+	284.142723	179.7
[M+K]+	305.072058	164.5
[M+H-H2O]+	249.106160	155.0
[M+HCOO]-	311.107101	175.8
[M+CH3COO]-	325.122751	198.1
[M+Na-2H]-	287.083566	159.6
[M]+	266.10835142	162.4
[M]-	266.10944858	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.