CID 493087

Chembl415920

Structural Information

Molecular Formula

C₂₁H₂₆ClN₃O₂

SMILES

C1CN(C(=O)N1CCCCCCCOC2=CC=C(C=C2)Cl)C3=CC=NC=C3

InChI

InChI=1S/C21H26ClN3O2/c22-18-6-8-20(9-7-18)27-17-5-3-1-2-4-14-24-15-16-25(21(24)26)19-10-12-23-13-11-19/h6-13H,1-5,14-17H2

InChIKey

VCWFTOQPIWLFEU-UHFFFAOYSA-N

Compound name

1-[7-(4-chlorophenoxy)heptyl]-3-pyridin-4-ylimidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 387.17136 Da
Monoisotopic Mass: 4.3
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]+	388.17864	194.4
[M+Na]+	410.16058	200.4
[M-H]-	386.16408	198.8
[M+NH4]+	405.20518	203.9
[M+K]+	426.13452	193.3
[M+H-H2O]+	370.16862	182.6
[M+HCOO]-	432.16956	207.3
[M+CH3COO]-	446.18521	217.4
[M+Na-2H]-	408.14603	193.4
[M]+	387.17081	197.7
[M]-	387.17191	197.7

Literature stripe

literature stripe

Patent stripe

patents stripe