CID 96342

26485-81-4

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CC(=C1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C18H16N2O2/c1-13(2)16-17(21)19(14-9-5-3-6-10-14)20(18(16)22)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKey
PDPQOBMGUDTPIR-UHFFFAOYSA-N
Compound name
1,2-diphenyl-4-propan-2-ylidenepyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

9
Patents

292.1212 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.128476 168.2
[M+Na]+ 315.110418 176.5
[M-H]- 291.113924 175.8
[M+NH4]+ 310.155023 182.6
[M+K]+ 331.084358 171.1
[M+H-H2O]+ 275.118460 158.9
[M+HCOO]- 337.119401 187.9
[M+CH3COO]- 351.135051 202.3
[M+Na-2H]- 313.095866 167.8
[M]+ 292.12065142 166.7
[M]- 292.12174858 166.7
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