CID 120741

568-76-3

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CC(CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C19H20N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,14,17,22H,12-13H2,1H3
InChIKey
PPJYQSFRNGSEBH-UHFFFAOYSA-N
Compound name
4-(3-hydroxybutyl)-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

9
Patents

324.1474 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 176.9
[M+Na]+ 347.13662 183.6
[M-H]- 323.14012 182.8
[M+NH4]+ 342.18122 189.0
[M+K]+ 363.11056 178.4
[M+H-H2O]+ 307.14466 167.4
[M+HCOO]- 369.14560 194.6
[M+CH3COO]- 383.16125 206.4
[M+Na-2H]- 345.12207 175.6
[M]+ 324.14685 176.0
[M]- 324.14795 176.0
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