CID 3043052

Benzofuro(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-(3-piperidinylpropionyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₉H₂₄N₂O₂

SMILES

C1CCN(CC1)CCC(=O)N2CCC3=C(C2)C4=CC=CC=C4O3

InChI

InChI=1S/C19H24N2O2/c22-19(9-12-20-10-4-1-5-11-20)21-13-8-18-16(14-21)15-6-2-3-7-17(15)23-18/h2-3,6-7H,1,4-5,8-14H2

InChIKey

MIQVGLSXBWZTGD-UHFFFAOYSA-N

Compound name

1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-3-piperidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 312.18378 Da
Monoisotopic Mass: 2.5
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]+	313.191056	174.3
[M+Na]+	335.172998	179.0
[M-H]-	311.176504	179.1
[M+NH4]+	330.217603	188.0
[M+K]+	351.146938	175.1
[M+H-H2O]+	295.181040	164.6
[M+HCOO]-	357.181981	187.4
[M+CH3COO]-	371.197631	183.5
[M+Na-2H]-	333.158446	176.3
[M]+	312.18323142	171.2
[M]-	312.18432858	171.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.