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
7
Annotation Hits

1247
References

35948
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 178.9
[M+Na]+ 347.13662 192.4
[M+NH4]+ 342.18122 185.2
[M+K]+ 363.11056 187.0
[M-H]- 323.14012 182.5
[M+Na-2H]- 345.12207 185.4
[M]+ 324.14685 181.7
[M]- 324.14795 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe