CID 157085

77585-88-7

Structural Information

Molecular Formula

C₁₄H₁₃ClN₂O

SMILES

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

InChI

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

InChIKey

PCRPPGNGWUROKM-UHFFFAOYSA-N

Compound name

3-(3-chlorophenyl)-1-methyl-1-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 260.07166 Da
Monoisotopic Mass: 3.6
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]+	261.07894	158.1
[M+Na]+	283.06088	172.2
[M+NH4]+	278.10548	167.3
[M+K]+	299.03482	164.2
[M-H]-	259.06438	164.2
[M+Na-2H]-	281.04633	168.3
[M]+	260.07111	162.2
[M]-	260.07221	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe