CID 4166536

Urea, n-(4-chlorophenyl)-n'-(1-methylethyl)-

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O

SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H13ClN2O/c1-7(2)12-10(14)13-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H2,12,13,14)

InChIKey

FROBZIOHWNEGPN-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-3-propan-2-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 212.07164 Da
Monoisotopic Mass: 2.7
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]+	213.078916	146.6
[M+Na]+	235.060858	153.5
[M-H]-	211.064364	150.2
[M+NH4]+	230.105463	165.7
[M+K]+	251.034798	150.1
[M+H-H2O]+	195.068900	141.2
[M+HCOO]-	257.069841	166.8
[M+CH3COO]-	271.085491	190.6
[M+Na-2H]-	233.046306	151.0
[M]+	212.07109142	147.1
[M]-	212.07218858	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe