CID 4712717

5-(4-nitrophenyl)-2h-pyrazol-3-ylamine

Structural Information

Molecular Formula

C₉H₈N₄O₂

SMILES

C1=CC(=CC=C1C2=CC(=NN2)N)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O2/c10-9-5-8(11-12-9)6-1-3-7(4-2-6)13(14)15/h1-5H,(H3,10,11,12)

InChIKey

UTUMMZUJYKIHOB-UHFFFAOYSA-N

Compound name

5-(4-nitrophenyl)-1H-pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 204.06473 Da
Monoisotopic Mass: 1.4
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]+	205.07201	139.5
[M+Na]+	227.05395	152.0
[M+NH4]+	222.09855	146.7
[M+K]+	243.02789	151.3
[M-H]-	203.05745	143.1
[M+Na-2H]-	225.03940	146.7
[M]+	204.06418	141.9
[M]-	204.06528	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe