CID 201792

1-methyl-5-phenylbiuret

Structural Information

Molecular Formula

C₉H₁₁N₃O₂

SMILES

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

InChI

InChI=1S/C9H11N3O2/c1-12(8(10)13)9(14)11-7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,13)(H,11,14)

InChIKey

OZCUWXMMPDEUTJ-UHFFFAOYSA-N

Compound name

1-carbamoyl-1-methyl-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.08513 Da
Monoisotopic Mass: 1.3
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]+	194.09241	141.7
[M+Na]+	216.07435	146.8
[M-H]-	192.07785	146.3
[M+NH4]+	211.11895	160.3
[M+K]+	232.04829	146.8
[M+H-H2O]+	176.08239	134.5
[M+HCOO]-	238.08333	168.1
[M+CH3COO]-	252.09898	191.1
[M+Na-2H]-	214.05980	146.4
[M]+	193.08458	139.5
[M]-	193.08568	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe