CID 1378917

260428-67-9

Structural Information

Molecular Formula

C₂₀H₂₃NO

SMILES

CC1=CC(=CC=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H23NO/c1-16-6-5-9-19(14-16)20(22)21-12-10-18(11-13-21)15-17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3

InChIKey

POFAJEKTXKRKHK-UHFFFAOYSA-N

Compound name

(4-benzylpiperidin-1-yl)-(3-methylphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 2
Patents: 293.17798 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]+	294.18526	173.0
[M+Na]+	316.16720	187.8
[M+NH4]+	311.21180	182.0
[M+K]+	332.14114	178.6
[M-H]-	292.17070	179.6
[M+Na-2H]-	314.15265	182.9
[M]+	293.17743	177.1
[M]-	293.17853	177.1

Literature stripe

literature stripe

Patent stripe

patents stripe