CID 5069328

1-benzyl-3-(5-chloro-2-methylphenyl)urea

Structural Information

Molecular Formula

C₁₅H₁₅ClN₂O

SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C15H15ClN2O/c1-11-7-8-13(16)9-14(11)18-15(19)17-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,18,19)

InChIKey

OYUSEAURFKRCQH-UHFFFAOYSA-N

Compound name

1-benzyl-3-(5-chloro-2-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 274.08728 Da
Monoisotopic Mass: 3.2
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]+	275.094556	162.4
[M+Na]+	297.076498	169.7
[M-H]-	273.080004	169.1
[M+NH4]+	292.121103	179.0
[M+K]+	313.050438	164.1
[M+H-H2O]+	257.084540	155.4
[M+HCOO]-	319.085481	183.4
[M+CH3COO]-	333.101131	201.6
[M+Na-2H]-	295.061946	167.5
[M]+	274.08673142	163.5
[M]-	274.08782858	163.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.