CID 53362457

1-(2,4-dimethoxybenzyl)urea

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃

SMILES

COC1=CC(=C(C=C1)CNC(=O)N)OC

InChI

InChI=1S/C10H14N2O3/c1-14-8-4-3-7(6-12-10(11)13)9(5-8)15-2/h3-5H,6H2,1-2H3,(H3,11,12,13)

InChIKey

HNAHGDZAQREPAU-UHFFFAOYSA-N

Compound name

(2,4-dimethoxyphenyl)methylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 210.10045 Da
Monoisotopic Mass: 0.4
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]+	211.10773	145.0
[M+Na]+	233.08967	152.0
[M-H]-	209.09317	148.5
[M+NH4]+	228.13427	163.2
[M+K]+	249.06361	150.9
[M+H-H2O]+	193.09771	138.3
[M+HCOO]-	255.09865	170.5
[M+CH3COO]-	269.11430	191.4
[M+Na-2H]-	231.07512	149.5
[M]+	210.09990	146.4
[M]-	210.10100	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe