CID 3059272

1-(2-hydroxyethyl)-3-methyl-5-phenylbiuret

Structural Information

Molecular Formula

C₁₁H₁₅N₃O₃

SMILES

CC1=CC=CC=C1NC(=O)N(CCO)C(=O)N

InChI

InChI=1S/C11H15N3O3/c1-8-4-2-3-5-9(8)13-11(17)14(6-7-15)10(12)16/h2-5,15H,6-7H2,1H3,(H2,12,16)(H,13,17)

InChIKey

GMFYKDZGJRZPQN-UHFFFAOYSA-N

Compound name

1-carbamoyl-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.11134 Da
Monoisotopic Mass: 0.5
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]+	238.118616	153.7
[M+Na]+	260.100558	158.4
[M-H]-	236.104064	156.9
[M+NH4]+	255.145163	170.0
[M+K]+	276.074498	157.7
[M+H-H2O]+	220.108600	146.4
[M+HCOO]-	282.109541	178.1
[M+CH3COO]-	296.125191	198.3
[M+Na-2H]-	258.086006	156.2
[M]+	237.11079142	152.1
[M]-	237.11188858	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe