CID 302801

1-phenylbiuret

Structural Information

Molecular Formula

C₈H₉N₃O₂

SMILES

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

InChI

InChI=1S/C8H9N3O2/c9-7(12)11-8(13)10-6-4-2-1-3-5-6/h1-5H,(H4,9,10,11,12,13)

InChIKey

MJJSNLJGOXWVEU-UHFFFAOYSA-N

Compound name

1-carbamoyl-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 179.06947 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]+	180.07675	138.0
[M+Na]+	202.05869	146.4
[M+NH4]+	197.10329	144.7
[M+K]+	218.03263	142.5
[M-H]-	178.06219	139.9
[M+Na-2H]-	200.04414	143.5
[M]+	179.06892	139.2
[M]-	179.07002	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe