CID 3059277

1-acetyl-3-methyl-5-phenylbiuret

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₃

SMILES

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

InChI

InChI=1S/C11H13N3O3/c1-8(15)12-10(16)14(2)11(17)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,17)(H,12,15,16)

InChIKey

OTQKGHUJKPAXCI-UHFFFAOYSA-N

Compound name

N-[methyl(phenylcarbamoyl)carbamoyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 235.09569 Da
Monoisotopic Mass: 1.5
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]+	236.102966	153.0
[M+Na]+	258.084908	157.3
[M-H]-	234.088414	157.9
[M+NH4]+	253.129513	170.0
[M+K]+	274.058848	157.7
[M+H-H2O]+	218.092950	145.4
[M+HCOO]-	280.093891	178.7
[M+CH3COO]-	294.109541	198.7
[M+Na-2H]-	256.070356	156.5
[M]+	235.09514142	152.4
[M]-	235.09623858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe