CID 17561

1,2-diphenylpyrazolidine-3,5-dione

Structural Information

Molecular Formula
C15H12N2O2
SMILES
C1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H12N2O2/c18-14-11-15(19)17(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10H,11H2
InChIKey
XDPKQGKEOCYMQC-UHFFFAOYSA-N
Compound name
1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

831
Patents

252.08987 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 157.4
[M+Na]+ 275.07909 172.1
[M+NH4]+ 270.12369 165.3
[M+K]+ 291.05303 166.3
[M-H]- 251.08259 162.0
[M+Na-2H]- 273.06454 166.6
[M]+ 252.08932 160.7
[M]- 252.09042 160.7
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

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