CID 5469828

Nsc693122

Structural Information

Molecular Formula
C23H18N2O2
SMILES
C1C(=O)N(N(C1=O)/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H18N2O2/c26-22-17-23(27)25(24(22)20-14-8-3-9-15-20)21(19-12-6-2-7-13-19)16-18-10-4-1-5-11-18/h1-16H,17H2/b21-16+
InChIKey
CJSGWAAGUVCPFG-LTGZKZEYSA-N
Compound name
1-[(E)-1,2-diphenylethenyl]-2-phenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.13684 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14412 185.8
[M+Na]+ 377.12606 191.8
[M-H]- 353.12956 195.4
[M+NH4]+ 372.17066 196.3
[M+K]+ 393.10000 184.7
[M+H-H2O]+ 337.13410 174.2
[M+HCOO]- 399.13504 204.6
[M+CH3COO]- 413.15069 195.2
[M+Na-2H]- 375.11151 185.3
[M]+ 354.13629 182.5
[M]- 354.13739 182.5
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.