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

37957
Patents

324.1474 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.