CID 211884

Brn 0624674

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]+ 348.17068 185.6
[M+Na]+ 370.15262 190.7
[M-H]- 346.15612 193.2
[M+NH4]+ 365.19722 195.1
[M+K]+ 386.12656 183.8
[M+H-H2O]+ 330.16066 173.3
[M+HCOO]- 392.16160 200.4
[M+CH3COO]- 406.17725 193.8
[M+Na-2H]- 368.13807 183.3
[M]+ 347.16285 178.9
[M]- 347.16395 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.