CID 4610559

N-(2,6-dichlorophenyl)-n'-3-pyridinyl urea

Structural Information

Molecular Formula

C₁₂H₉Cl₂N₃O

SMILES

C1=CC(=C(C(=C1)Cl)NC(=O)NC2=CN=CC=C2)Cl

InChI

InChI=1S/C12H9Cl2N3O/c13-9-4-1-5-10(14)11(9)17-12(18)16-8-3-2-6-15-7-8/h1-7H,(H2,16,17,18)

InChIKey

LCVQWTZZWZTSCY-UHFFFAOYSA-N

Compound name

1-(2,6-dichlorophenyl)-3-pyridin-3-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 281.01227 Da
Monoisotopic Mass: 3.1
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]+	282.01955	159.3
[M+Na]+	304.00149	174.2
[M+NH4]+	299.04609	167.8
[M+K]+	319.97543	165.9
[M-H]-	280.00499	164.0
[M+Na-2H]-	301.98694	168.9
[M]+	281.01172	163.3
[M]-	281.01282	163.3

Literature stripe

literature stripe

Patent stripe

patents stripe