CID 92956

Phenopyrazone

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)C2C(=O)NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C15H12N2O2/c18-14-13(11-7-3-1-4-8-11)15(19)17(16-14)12-9-5-2-6-10-12/h1-10,13H,(H,16,18)

InChIKey

ZZMSHBOVYPIYOB-UHFFFAOYSA-N

Compound name

1,4-diphenylpyrazolidine-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 1417
Patents: 252.08987 Da
Monoisotopic Mass: 2.4
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]+	253.09715	156.2
[M+Na]+	275.07909	164.4
[M-H]-	251.08259	162.3
[M+NH4]+	270.12369	171.2
[M+K]+	291.05303	158.8
[M+H-H2O]+	235.08713	147.2
[M+HCOO]-	297.08807	176.2
[M+CH3COO]-	311.10372	167.8
[M+Na-2H]-	273.06454	158.7
[M]+	252.08932	152.7
[M]-	252.09042	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe