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 180.1
[M+Na]+ 356.13696 186.6
[M-H]- 332.14046 188.9
[M+NH4]+ 351.18156 192.4
[M+K]+ 372.11090 180.3
[M+H-H2O]+ 316.14500 169.2
[M+HCOO]- 378.14594 197.8
[M+CH3COO]- 392.16159 189.8
[M+Na-2H]- 354.12241 176.6
[M]+ 333.14719 175.6
[M]- 333.14829 175.6
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.