CID 3053601

70166-83-5

Structural Information

Molecular Formula

C₂₀H₂₃N₃O₃

SMILES

C1CN(CCC1(C2=CC=CC=C2)O)CC(=O)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3/c24-18(22-19(25)21-17-9-5-2-6-10-17)15-23-13-11-20(26,12-14-23)16-7-3-1-4-8-16/h1-10,26H,11-15H2,(H2,21,22,24,25)

InChIKey

BIQOBXCNTKSQHR-UHFFFAOYSA-N

Compound name

2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-(phenylcarbamoyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 353.17395 Da
Monoisotopic Mass: 2.5
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]+	354.181226	183.7
[M+Na]+	376.163168	185.5
[M-H]-	352.166674	189.3
[M+NH4]+	371.207773	194.5
[M+K]+	392.137108	181.4
[M+H-H2O]+	336.171210	173.6
[M+HCOO]-	398.172151	201.3
[M+CH3COO]-	412.187801	212.6
[M+Na-2H]-	374.148616	187.0
[M]+	353.17340142	177.3
[M]-	353.17449858	177.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.