CID 4056614

74548-62-2

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₃

SMILES

CC(CO)(CO)NC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C11H16N2O3/c1-11(7-14,8-15)13-10(16)12-9-5-3-2-4-6-9/h2-6,14-15H,7-8H2,1H3,(H2,12,13,16)

InChIKey

NLGYHTMGWVQQIL-UHFFFAOYSA-N

Compound name

1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.11609 Da
Monoisotopic Mass: -0.2
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]+	225.12337	150.0
[M+Na]+	247.10531	154.3
[M-H]-	223.10881	150.6
[M+NH4]+	242.14991	166.0
[M+K]+	263.07925	152.1
[M+H-H2O]+	207.11335	143.8
[M+HCOO]-	269.11429	171.2
[M+CH3COO]-	283.12994	187.5
[M+Na-2H]-	245.09076	156.3
[M]+	224.11554	147.6
[M]-	224.11664	147.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.