CID 40598

971-34-6

Structural Information

Molecular Formula

C₁₉H₂₂N₂O

SMILES

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

InChI

InChI=1S/C19H22N2O/c22-19(17-9-5-2-6-10-17)20-18-11-13-21(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,20,22)

InChIKey

LDGORKJXEGHFBK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 11
References: 39
Patents: 294.17322 Da
Monoisotopic Mass: 3.3
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]+	295.180496	170.5
[M+Na]+	317.162438	173.1
[M-H]-	293.165944	177.2
[M+NH4]+	312.207043	182.9
[M+K]+	333.136378	168.1
[M+H-H2O]+	277.170480	160.1
[M+HCOO]-	339.171421	189.2
[M+CH3COO]-	353.187071	179.6
[M+Na-2H]-	315.147886	173.9
[M]+	294.17267142	164.4
[M]-	294.17376858	164.4

Literature stripe

literature stripe

Patent stripe

patents stripe