CID 703625

3-(4-aminophenyl)-1-(4-chlorophenyl)urea

Structural Information

Molecular Formula

C₁₃H₁₂ClN₃O

SMILES

C1=CC(=CC=C1N)NC(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H12ClN3O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,15H2,(H2,16,17,18)

InChIKey

FSPSGXONYSJIKK-UHFFFAOYSA-N

Compound name

1-(4-aminophenyl)-3-(4-chlorophenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 261.0669 Da
Monoisotopic Mass: 2.9
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]+	262.07418	158.1
[M+Na]+	284.05612	170.9
[M+NH4]+	279.10072	166.5
[M+K]+	300.03006	163.5
[M-H]-	260.05962	163.9
[M+Na-2H]-	282.04157	167.2
[M]+	261.06635	161.7
[M]-	261.06745	161.7

Literature stripe

literature stripe

Patent stripe

patents stripe