CID 2813365

Oprea1_096304

Structural Information

Molecular Formula

C₁₉H₂₂ClN₃O₂

SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)NC2=CC=C(C=C2)N3CCCCC3

InChI

InChI=1S/C19H22ClN3O2/c1-25-18-10-5-14(20)13-17(18)22-19(24)21-15-6-8-16(9-7-15)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3,(H2,21,22,24)

InChIKey

OAFPHVMFKJHJQG-UHFFFAOYSA-N

Compound name

1-(5-chloro-2-methoxyphenyl)-3-(4-piperidin-1-ylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 359.14005 Da
Monoisotopic Mass: 4.1
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]+	360.147326	184.6
[M+Na]+	382.129268	189.0
[M-H]-	358.132774	191.8
[M+NH4]+	377.173873	195.6
[M+K]+	398.103208	183.2
[M+H-H2O]+	342.137310	174.8
[M+HCOO]-	404.138251	200.1
[M+CH3COO]-	418.153901	216.6
[M+Na-2H]-	380.114716	186.7
[M]+	359.13950142	182.6
[M]-	359.14059858	182.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.