CID 493123

Chembl46920

Structural Information

Molecular Formula

C₂₀H₂₃BrN₂O₂

SMILES

C1CN(C(=O)N1CCCCCOC2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C20H23BrN2O2/c21-17-9-11-19(12-10-17)25-16-6-2-5-13-22-14-15-23(20(22)24)18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-16H2

InChIKey

HBLZWHWSFYFTNQ-UHFFFAOYSA-N

Compound name

1-[5-(4-bromophenoxy)pentyl]-3-phenylimidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 402.0943 Da
Monoisotopic Mass: 4.5
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]+	403.10158	189.8
[M+Na]+	425.08352	198.5
[M-H]-	401.08702	198.5
[M+NH4]+	420.12812	203.5
[M+K]+	441.05746	185.9
[M+H-H2O]+	385.09156	186.5
[M+HCOO]-	447.09250	207.1
[M+CH3COO]-	461.10815	216.3
[M+Na-2H]-	423.06897	191.0
[M]+	402.09375	209.1
[M]-	402.09485	209.1

Literature stripe

literature stripe

Patent stripe

patents stripe