CID 14553345

Chembl396236

Structural Information

Molecular Formula

C₁₉H₂₄N₂O₂

SMILES

C1CN(CCC1CCNC(=O)C2=COC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N2O2/c22-19(18-9-13-23-15-18)20-10-6-16-7-11-21(12-8-16)14-17-4-2-1-3-5-17/h1-5,9,13,15-16H,6-8,10-12,14H2,(H,20,22)

InChIKey

YKRQULYZQCVJSI-UHFFFAOYSA-N

Compound name

N-[2-(1-benzylpiperidin-4-yl)ethyl]furan-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 312.18378 Da
Monoisotopic Mass: 2.9
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]+	313.19106	175.5
[M+Na]+	335.17300	178.1
[M-H]-	311.17650	183.1
[M+NH4]+	330.21760	187.9
[M+K]+	351.14694	174.9
[M+H-H2O]+	295.18104	165.8
[M+HCOO]-	357.18198	194.5
[M+CH3COO]-	371.19763	205.9
[M+Na-2H]-	333.15845	176.9
[M]+	312.18323	172.4
[M]-	312.18433	172.4

Literature stripe

literature stripe

Patent stripe

patents stripe