CID 9920529

(3-aminobenzoyl)urea

Structural Information

Molecular Formula

C₈H₉N₃O₂

SMILES

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

InChI

InChI=1S/C8H9N3O2/c9-6-3-1-2-5(4-6)7(12)11-8(10)13/h1-4H,9H2,(H3,10,11,12,13)

InChIKey

FHFKRZADODCCPL-UHFFFAOYSA-N

Compound name

3-amino-N-carbamoylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 179.06947 Da
Monoisotopic Mass: -0.4
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	136.9
[M+Na]+	202.05869	143.2
[M-H]-	178.06219	140.0
[M+NH4]+	197.10329	155.3
[M+K]+	218.03263	141.6
[M+H-H2O]+	162.06673	130.3
[M+HCOO]-	224.06767	162.4
[M+CH3COO]-	238.08332	186.1
[M+Na-2H]-	200.04414	141.0
[M]+	179.06892	132.5
[M]-	179.07002	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe