CID 493093

Dbpr103

Structural Information

Molecular Formula

C₂₅H₂₆ClN₃O₂

SMILES

C1CN(C(=O)N1CCCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C25H26ClN3O2/c26-22-8-4-20(5-9-22)21-6-10-24(11-7-21)31-19-3-1-2-16-28-17-18-29(25(28)30)23-12-14-27-15-13-23/h4-15H,1-3,16-19H2

InChIKey

WXSUPRFKEUWQEL-UHFFFAOYSA-N

Compound name

1-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 435.17136 Da
Monoisotopic Mass: 5.0
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]+	436.178636	207.4
[M+Na]+	458.160578	213.6
[M-H]-	434.164084	214.9
[M+NH4]+	453.205183	214.4
[M+K]+	474.134518	205.1
[M+H-H2O]+	418.168620	194.0
[M+HCOO]-	480.169561	219.8
[M+CH3COO]-	494.185211	214.8
[M+Na-2H]-	456.146026	205.5
[M]+	435.17081142	209.7
[M]-	435.17190858	209.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.