CID 80813

6401-98-5

Structural Information

Molecular Formula

C₁₀H₉N₃O₂

SMILES

C1C(=NN(C1=O)C2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C10H9N3O2/c11-10(15)8-6-9(14)13(12-8)7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,15)

InChIKey

SPFXLCCBWAJCHQ-UHFFFAOYSA-N

Compound name

5-oxo-1-phenyl-4H-pyrazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 203.06947 Da
Monoisotopic Mass: 0.3
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]+	204.07675	143.1
[M+Na]+	226.05869	154.4
[M+NH4]+	221.10329	149.9
[M+K]+	242.03263	151.4
[M-H]-	202.06219	144.9
[M+Na-2H]-	224.04414	149.4
[M]+	203.06892	144.8
[M]-	203.07002	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe