CID 684216

1-(4-chlorophenyl)-3-(m-tolyl)urea

Structural Information

Molecular Formula

C₁₄H₁₃ClN₂O

SMILES

CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H13ClN2O/c1-10-3-2-4-13(9-10)17-14(18)16-12-7-5-11(15)6-8-12/h2-9H,1H3,(H2,16,17,18)

InChIKey

FOWBNUZIRMJWRX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 260.07166 Da
Monoisotopic Mass: 3.7
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]+	261.078936	157.8
[M+Na]+	283.060878	165.6
[M-H]-	259.064384	164.7
[M+NH4]+	278.105483	175.0
[M+K]+	299.034818	160.2
[M+H-H2O]+	243.068920	151.0
[M+HCOO]-	305.069861	179.2
[M+CH3COO]-	319.085511	198.6
[M+Na-2H]-	281.046326	163.4
[M]+	260.07111142	158.6
[M]-	260.07220858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe