CID 69190

Benzoylurea

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

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

InChI

InChI=1S/C8H8N2O2/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)

InChIKey

HRYILSDLIGTCOP-UHFFFAOYSA-N

Compound name

N-carbamoylbenzamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 40
References: 9373
Patents: 164.05858 Da
Monoisotopic Mass: 1.2
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]+	165.065856	133.0
[M+Na]+	187.047798	139.2
[M-H]-	163.051304	136.3
[M+NH4]+	182.092403	152.4
[M+K]+	203.021738	137.9
[M+H-H2O]+	147.055840	126.7
[M+HCOO]-	209.056781	158.2
[M+CH3COO]-	223.072431	180.1
[M+Na-2H]-	185.033246	138.7
[M]+	164.05803142	130.0
[M]-	164.05912858	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe