CID 493083

Bproz-194

Structural Information

Molecular Formula

C₁₉H₂₂BrN₃O₂

SMILES

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

InChI

InChI=1S/C19H22BrN3O2/c20-16-4-6-18(7-5-16)25-15-3-1-2-12-22-13-14-23(19(22)24)17-8-10-21-11-9-17/h4-11H,1-3,12-15H2

InChIKey

FNMASAFFZKWPGI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 11
Patents: 403.08954 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]+	404.09682	187.6
[M+Na]+	426.07876	196.6
[M-H]-	402.08226	195.1
[M+NH4]+	421.12336	200.0
[M+K]+	442.05270	184.1
[M+H-H2O]+	386.08680	183.8
[M+HCOO]-	448.08774	204.0
[M+CH3COO]-	462.10339	216.0
[M+Na-2H]-	424.06421	189.5
[M]+	403.08899	207.0
[M]-	403.09009	207.0

Literature stripe

literature stripe

Patent stripe

patents stripe