CID 3024645

Cyclohexanone, 2-(p-methoxybenzylamino)-2-phenyl-, hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₃NO₂

SMILES

COC1=CC=C(C=C1)CNC2(CCCCC2=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23NO2/c1-23-18-12-10-16(11-13-18)15-21-20(14-6-5-9-19(20)22)17-7-3-2-4-8-17/h2-4,7-8,10-13,21H,5-6,9,14-15H2,1H3

InChIKey

LVJQGULTSAMCTG-UHFFFAOYSA-N

Compound name

2-[(4-methoxyphenyl)methylamino]-2-phenylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.17288 Da
Monoisotopic Mass: 3.4
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]+	310.180156	174.4
[M+Na]+	332.162098	178.8
[M-H]-	308.165604	183.1
[M+NH4]+	327.206703	189.9
[M+K]+	348.136038	174.2
[M+H-H2O]+	292.170140	165.0
[M+HCOO]-	354.171081	195.4
[M+CH3COO]-	368.186731	207.0
[M+Na-2H]-	330.147546	178.6
[M]+	309.17233142	171.0
[M]-	309.17342858	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.