CID 213889

Dtxsid00949965

Structural Information

Molecular Formula

C₂₁H₂₆N₂O

SMILES

CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)CN3CCCCC3

InChI

InChI=1S/C21H26N2O/c1-18-10-12-20(13-11-18)23(16-19-8-4-2-5-9-19)21(24)17-22-14-6-3-7-15-22/h2,4-5,8-13H,3,6-7,14-17H2,1H3

InChIKey

WGTGOWXYXZPAOJ-UHFFFAOYSA-N

Compound name

N-benzyl-N-(4-methylphenyl)-2-piperidin-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 322.2045 Da
Monoisotopic Mass: 4.1
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]+	323.211776	179.6
[M+Na]+	345.193718	181.4
[M-H]-	321.197224	187.3
[M+NH4]+	340.238323	191.5
[M+K]+	361.167658	177.4
[M+H-H2O]+	305.201760	168.6
[M+HCOO]-	367.202701	198.1
[M+CH3COO]-	381.218351	213.3
[M+Na-2H]-	343.179166	181.2
[M]+	322.20395142	175.4
[M]-	322.20504858	175.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.