CID 212701

24665-81-4

Structural Information

Molecular Formula
C20H19N3O2
SMILES
C1CCN(C1)C=C2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H19N3O2/c24-19-18(15-21-13-7-8-14-21)20(25)23(17-11-5-2-6-12-17)22(19)16-9-3-1-4-10-16/h1-6,9-12,15H,7-8,13-14H2
InChIKey
NMWZBDMRHPCRFW-UHFFFAOYSA-N
Compound name
1,2-diphenyl-4-(pyrrolidin-1-ylmethylidene)pyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.14774 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 181.3
[M+Na]+ 356.13696 194.1
[M+NH4]+ 351.18156 188.0
[M+K]+ 372.11090 190.2
[M-H]- 332.14046 186.3
[M+Na-2H]- 354.12241 188.9
[M]+ 333.14719 184.3
[M]- 333.14829 184.3
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.