CID 3059242

3-ethyl-1-methyl-5-phenylbiuret

Structural Information

Molecular Formula

C₁₁H₁₅N₃O₂

SMILES

CCN(C(=O)NC)C(=O)NC1=CC=CC=C1

InChI

InChI=1S/C11H15N3O2/c1-3-14(10(15)12-2)11(16)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,12,15)(H,13,16)

InChIKey

LYZKIMDYWXNABA-UHFFFAOYSA-N

Compound name

1-ethyl-1-(methylcarbamoyl)-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 221.11642 Da
Monoisotopic Mass: 2.2
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]+	222.123696	150.9
[M+Na]+	244.105638	155.2
[M-H]-	220.109144	155.6
[M+NH4]+	239.150243	168.7
[M+K]+	260.079578	155.0
[M+H-H2O]+	204.113680	143.3
[M+HCOO]-	266.114621	177.2
[M+CH3COO]-	280.130271	197.1
[M+Na-2H]-	242.091086	155.5
[M]+	221.11587142	150.3
[M]-	221.11696858	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe