CID 66877

N-acetyl-n'-phenylurea

Structural Information

Molecular Formula

C₉H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C9H10N2O2/c1-7(12)10-9(13)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12,13)

InChIKey

RUPVBKFFZNPEPS-UHFFFAOYSA-N

Compound name

N-(phenylcarbamoyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 178.07423 Da
Monoisotopic Mass: 1.6
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]+	179.08151	138.5
[M+Na]+	201.06345	148.4
[M+NH4]+	196.10805	145.7
[M+K]+	217.03739	143.5
[M-H]-	177.06695	140.4
[M+Na-2H]-	199.04890	144.6
[M]+	178.07368	140.0
[M]-	178.07478	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe