CID 213501

3,5-pyrazolidinedione, 1,2,4-triphenyl-

Structural Information

Molecular Formula
C21H16N2O2
SMILES
C1=CC=C(C=C1)C2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H16N2O2/c24-20-19(16-10-4-1-5-11-16)21(25)23(18-14-8-3-9-15-18)22(20)17-12-6-2-7-13-17/h1-15,19H
InChIKey
VVDPMDVGFLVBGN-UHFFFAOYSA-N
Compound name
1,2,4-triphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

328.1212 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12848 177.9
[M+Na]+ 351.11042 185.8
[M-H]- 327.11392 188.2
[M+NH4]+ 346.15502 189.9
[M+K]+ 367.08436 179.2
[M+H-H2O]+ 311.11846 166.7
[M+HCOO]- 373.11940 198.3
[M+CH3COO]- 387.13505 188.6
[M+Na-2H]- 349.09587 178.9
[M]+ 328.12065 175.8
[M]- 328.12175 175.8
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