CID 3041981

3,5-pyrazolidinedione, 4-butyl-1,2-diphenyl-4-(2-(4-pyridyl)ethyl)-

Structural Information

Molecular Formula
C26H27N3O2
SMILES
CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CCC4=CC=CC=N4
InChI
InChI=1S/C26H27N3O2/c1-2-3-18-26(19-17-21-12-10-11-20-27-21)24(30)28(22-13-6-4-7-14-22)29(25(26)31)23-15-8-5-9-16-23/h4-16,20H,2-3,17-19H2,1H3
InChIKey
PNGVWMZKLNQLOS-UHFFFAOYSA-N
Compound name
4-butyl-1,2-diphenyl-4-(2-pyridin-2-ylethyl)pyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.21033 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.21761 204.0
[M+Na]+ 436.19955 219.5
[M+NH4]+ 431.24415 211.8
[M+K]+ 452.17349 209.7
[M-H]- 412.20305 210.3
[M+Na-2H]- 434.18500 215.1
[M]+ 413.20978 208.2
[M]- 413.21088 208.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.