CID 3059292

1-ethyl-5-(4-methoxyphenyl)biuret

Structural Information

Molecular Formula

C₁₁H₁₅N₃O₃

SMILES

CCN(C(=O)N)C(=O)NC1=CC=C(C=C1)OC

InChI

InChI=1S/C11H15N3O3/c1-3-14(10(12)15)11(16)13-8-4-6-9(17-2)7-5-8/h4-7H,3H2,1-2H3,(H2,12,15)(H,13,16)

InChIKey

XEZBVLLSHWHPGA-UHFFFAOYSA-N

Compound name

1-carbamoyl-1-ethyl-3-(4-methoxyphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.11134 Da
Monoisotopic Mass: 1.8
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]+	238.118616	153.5
[M+Na]+	260.100558	158.5
[M-H]-	236.104064	158.1
[M+NH4]+	255.145163	170.5
[M+K]+	276.074498	158.7
[M+H-H2O]+	220.108600	145.9
[M+HCOO]-	282.109541	179.4
[M+CH3COO]-	296.125191	200.6
[M+Na-2H]-	258.086006	156.5
[M]+	237.11079142	153.8
[M]-	237.11188858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe