CID 96663

Urea, 1-(2-chloroethyl)-3-(m-anisyl)-

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O₂

SMILES

COC1=CC=CC(=C1)NC(=O)NCCCl

InChI

InChI=1S/C10H13ClN2O2/c1-15-9-4-2-3-8(7-9)13-10(14)12-6-5-11/h2-4,7H,5-6H2,1H3,(H2,12,13,14)

InChIKey

YOLMMVVRCHJMHY-UHFFFAOYSA-N

Compound name

1-(2-chloroethyl)-3-(3-methoxyphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 228.06656 Da
Monoisotopic Mass: 1.9
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]+	229.07384	148.4
[M+Na]+	251.05578	159.6
[M+NH4]+	246.10038	156.1
[M+K]+	267.02972	153.1
[M-H]-	227.05928	150.8
[M+Na-2H]-	249.04123	154.7
[M]+	228.06601	150.7
[M]-	228.06711	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe