CID 7342344

4-nitrophenyl aminoethylurea

Structural Information

Molecular Formula

C₉H₁₂N₄O₃

SMILES

C1=CC(=CC=C1NCCNC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C9H12N4O3/c10-9(14)12-6-5-11-7-1-3-8(4-2-7)13(15)16/h1-4,11H,5-6H2,(H3,10,12,14)

InChIKey

OJYWOOVHUFSZJP-UHFFFAOYSA-N

Compound name

2-(4-nitroanilino)ethylurea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4152
Patents: 224.09094 Da
Monoisotopic Mass: 0.5
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]+	225.09822	146.1
[M+Na]+	247.08016	155.0
[M+NH4]+	242.12476	152.4
[M+K]+	263.05410	153.4
[M-H]-	223.08366	149.5
[M+Na-2H]-	245.06561	151.0
[M]+	224.09039	147.7
[M]-	224.09149	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe