CID 44581

63639-53-2

Structural Information

Molecular Formula

C₁₉H₂₃N₃O

SMILES

C1CN(CCC1NC(=O)C2=CC=C(C=C2)N)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14,20H2,(H,21,23)

InChIKey

LFKHXNHRAMXFCC-UHFFFAOYSA-N

Compound name

4-amino-N-(1-benzylpiperidin-4-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 309.1841 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]+	310.191376	174.2
[M+Na]+	332.173318	176.9
[M-H]-	308.176824	180.7
[M+NH4]+	327.217923	185.7
[M+K]+	348.147258	171.6
[M+H-H2O]+	292.181360	163.8
[M+HCOO]-	354.182301	193.4
[M+CH3COO]-	368.197951	182.9
[M+Na-2H]-	330.158766	176.5
[M]+	309.18355142	167.0
[M]-	309.18464858	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe