CID 29863

Metoxuron

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O₂

SMILES

CN(C)C(=O)NC1=CC(=C(C=C1)OC)Cl

InChI

InChI=1S/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)

InChIKey

DSRNRYQBBJQVCW-UHFFFAOYSA-N

Compound name

3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 19
References: 20047
Patents: 228.06656 Da
Monoisotopic Mass: 1.6
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	148.6
[M+Na]+	251.05578	156.8
[M-H]-	227.05928	154.1
[M+NH4]+	246.10038	168.1
[M+K]+	267.02972	154.9
[M+H-H2O]+	211.06382	143.0
[M+HCOO]-	273.06476	170.6
[M+CH3COO]-	287.08041	196.4
[M+Na-2H]-	249.04123	152.9
[M]+	228.06601	152.9
[M]-	228.06711	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe