CID 493101

Chembl44920

Structural Information

Molecular Formula

C₂₂H₃₀N₄O₂

SMILES

CN(C)C1=CC(=CC=C1)OCCCCCCN2CCN(C2=O)C3=CC=NC=C3

InChI

InChI=1S/C22H30N4O2/c1-24(2)20-8-7-9-21(18-20)28-17-6-4-3-5-14-25-15-16-26(22(25)27)19-10-12-23-13-11-19/h7-13,18H,3-6,14-17H2,1-2H3

InChIKey

ALTWBVPGJUGQCE-UHFFFAOYSA-N

Compound name

1-[6-[3-(dimethylamino)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 382.23688 Da
Monoisotopic Mass: 3.2
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]+	383.244156	195.1
[M+Na]+	405.226098	199.1
[M-H]-	381.229604	201.1
[M+NH4]+	400.270703	204.2
[M+K]+	421.200038	194.6
[M+H-H2O]+	365.234140	182.7
[M+HCOO]-	427.235081	213.9
[M+CH3COO]-	441.250731	225.1
[M+Na-2H]-	403.211546	194.3
[M]+	382.23633142	197.4
[M]-	382.23742858	197.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.