CID 294990

82744-96-5

Structural Information

Molecular Formula

C₁₅H₁₅ClN₂O

SMILES

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

InChI

InChI=1S/C15H15ClN2O/c1-2-18(14-6-4-3-5-7-14)15(19)17-13-10-8-12(16)9-11-13/h3-11H,2H2,1H3,(H,17,19)

InChIKey

LZZNVKOLXMSRHN-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-1-ethyl-1-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 274.08728 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]+	275.09456	162.5
[M+Na]+	297.07650	169.0
[M-H]-	273.08000	170.3
[M+NH4]+	292.12110	179.4
[M+K]+	313.05044	164.7
[M+H-H2O]+	257.08454	155.1
[M+HCOO]-	319.08548	184.0
[M+CH3COO]-	333.10113	203.8
[M+Na-2H]-	295.06195	167.5
[M]+	274.08673	164.5
[M]-	274.08783	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe