CID 3040023

51491-46-4

Structural Information

Molecular Formula

C₁₇H₂₆N₂O

SMILES

CCCCNC(=O)C1CC(CN(C1)C)C2=CC=CC=C2

InChI

InChI=1S/C17H26N2O/c1-3-4-10-18-17(20)16-11-15(12-19(2)13-16)14-8-6-5-7-9-14/h5-9,15-16H,3-4,10-13H2,1-2H3,(H,18,20)

InChIKey

BPYIVFXAMJLNFW-UHFFFAOYSA-N

Compound name

N-butyl-1-methyl-5-phenylpiperidine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.2045 Da
Monoisotopic Mass: 2.7
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]+	275.211776	168.6
[M+Na]+	297.193718	171.8
[M-H]-	273.197224	172.5
[M+NH4]+	292.238323	182.9
[M+K]+	313.167658	168.1
[M+H-H2O]+	257.201760	159.7
[M+HCOO]-	319.202701	186.7
[M+CH3COO]-	333.218351	203.2
[M+Na-2H]-	295.179166	169.8
[M]+	274.20395142	165.0
[M]-	274.20504858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.