CID 4641

Oxyphenbutazone

Structural Information

Molecular Formula

C₁₉H₂₀N₂O₃

SMILES

CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3

InChIKey

HFHZKZSRXITVMK-UHFFFAOYSA-N

Compound name

4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1248
References: 37565
Patents: 324.1474 Da
Monoisotopic Mass: 2.7
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]+	325.15468	177.1
[M+Na]+	347.13662	185.1
[M-H]-	323.14012	183.3
[M+NH4]+	342.18122	189.7
[M+K]+	363.11056	179.3
[M+H-H2O]+	307.14466	167.7
[M+HCOO]-	369.14560	195.8
[M+CH3COO]-	383.16125	206.8
[M+Na-2H]-	345.12207	176.2
[M]+	324.14685	177.2
[M]-	324.14795	177.2

Literature stripe

literature stripe

Patent stripe

patents stripe