CID 209767

Brn 0631810

Structural Information

Molecular Formula
C25H21ClN2O3
SMILES
CC1=CC(=C(C=C1)Cl)C(=O)CCC2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H21ClN2O3/c1-17-12-14-22(26)21(16-17)23(29)15-13-20-24(30)27(18-8-4-2-5-9-18)28(25(20)31)19-10-6-3-7-11-19/h2-12,14,16,20H,13,15H2,1H3
InChIKey
LCBIVHJANOZHKI-UHFFFAOYSA-N
Compound name
4-[3-(2-chloro-5-methylphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.12408 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.13136 204.3
[M+Na]+ 455.11330 220.9
[M+NH4]+ 450.15790 211.0
[M+K]+ 471.08724 213.4
[M-H]- 431.11680 210.8
[M+Na-2H]- 453.09875 213.4
[M]+ 432.12353 208.9
[M]- 432.12463 208.9
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.