CID 211884

3,5-pyrazolidinedione, 1,2-diphenyl-4-(piperidinomethylene)-

Structural Information

Molecular Formula
C21H21N3O2
SMILES
C1CCN(CC1)C=C2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H21N3O2/c25-20-19(16-22-14-8-3-9-15-22)21(26)24(18-12-6-2-7-13-18)23(20)17-10-4-1-5-11-17/h1-2,4-7,10-13,16H,3,8-9,14-15H2
InChIKey
LFTKOUTXFSKLGX-UHFFFAOYSA-N
Compound name
1,2-diphenyl-4-(piperidin-1-ylmethylidene)pyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1634 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.170676 185.6
[M+Na]+ 370.152618 190.7
[M-H]- 346.156124 193.2
[M+NH4]+ 365.197223 195.1
[M+K]+ 386.126558 183.8
[M+H-H2O]+ 330.160660 173.3
[M+HCOO]- 392.161601 200.4
[M+CH3COO]- 406.177251 193.8
[M+Na-2H]- 368.138066 183.3
[M]+ 347.16285142 178.9
[M]- 347.16394858 178.9
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.