CID 295283

1-(4-methoxyphenyl)-3-methylurea

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

CNC(=O)NC1=CC=C(C=C1)OC

InChI

InChI=1S/C9H12N2O2/c1-10-9(12)11-7-3-5-8(13-2)6-4-7/h3-6H,1-2H3,(H2,10,11,12)

InChIKey

OGKWRWBQAFIIQZ-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)-3-methylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 180.08987 Da
Monoisotopic Mass: 1.1
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]+	181.09715	138.5
[M+Na]+	203.07909	149.1
[M+NH4]+	198.12369	146.2
[M+K]+	219.05303	143.7
[M-H]-	179.08259	141.0
[M+Na-2H]-	201.06454	145.0
[M]+	180.08932	140.4
[M]-	180.09042	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe