CID 45051162

N-(3-chloro-4-methylphenyl)-n'-(3,5-dimethylphenyl)urea

Structural Information

Molecular Formula

C₁₆H₁₇ClN₂O

SMILES

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

InChI

InChI=1S/C16H17ClN2O/c1-10-6-11(2)8-14(7-10)19-16(20)18-13-5-4-12(3)15(17)9-13/h4-9H,1-3H3,(H2,18,19,20)

InChIKey

CEYVGMLASNTIEL-UHFFFAOYSA-N

Compound name

1-(3-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 288.10294 Da
Monoisotopic Mass: 4.8
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]+	289.110216	167.3
[M+Na]+	311.092158	176.0
[M-H]-	287.095664	174.6
[M+NH4]+	306.136763	183.9
[M+K]+	327.066098	170.3
[M+H-H2O]+	271.100200	160.5
[M+HCOO]-	333.101141	187.9
[M+CH3COO]-	347.116791	207.0
[M+Na-2H]-	309.077606	170.3
[M]+	288.10239142	169.5
[M]-	288.10348858	169.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.