CID 42853213

Benzyl fu-f

Structural Information

Molecular Formula

C₂₃H₂₄N₂O₂

SMILES

C1CN(CCC1N(C2=CC=CC=C2)C(=O)C3=CC=CO3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O2/c26-23(22-12-7-17-27-22)25(20-10-5-2-6-11-20)21-13-15-24(16-14-21)18-19-8-3-1-4-9-19/h1-12,17,21H,13-16,18H2

InChIKey

GDPJXHFICUEJBT-UHFFFAOYSA-N

Compound name

N-(1-benzylpiperidin-4-yl)-N-phenylfuran-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 360.18378 Da
Monoisotopic Mass: 4.4
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]+	361.191056	187.0
[M+Na]+	383.172998	189.1
[M-H]-	359.176504	198.7
[M+NH4]+	378.217603	197.2
[M+K]+	399.146938	185.9
[M+H-H2O]+	343.181040	175.8
[M+HCOO]-	405.181981	206.1
[M+CH3COO]-	419.197631	196.0
[M+Na-2H]-	381.158446	187.5
[M]+	360.18323142	183.6
[M]-	360.18432858	183.6

Literature stripe

literature stripe

Patent stripe

patents stripe