CID 509111

2,5-pyrrolidinedione, 3-[[3-chloro-4-(4-chlorophenoxy)phenyl]amino]-1-(3-quinolinyl)-

Structural Information

Molecular Formula
C25H17Cl2N3O3
SMILES
C1C(C(=O)N(C1=O)C2=CC3=CC=CC=C3N=C2)NC4=CC(=C(C=C4)OC5=CC=C(C=C5)Cl)Cl
InChI
InChI=1S/C25H17Cl2N3O3/c26-16-5-8-19(9-6-16)33-23-10-7-17(12-20(23)27)29-22-13-24(31)30(25(22)32)18-11-15-3-1-2-4-21(15)28-14-18/h1-12,14,22,29H,13H2
InChIKey
ZXFKAEMJDUTMJE-UHFFFAOYSA-N
Compound name
3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-quinolin-3-ylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.0647 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.07198 213.1
[M+Na]+ 500.05392 222.9
[M-H]- 476.05742 223.5
[M+NH4]+ 495.09852 221.4
[M+K]+ 516.02786 214.2
[M+H-H2O]+ 460.06196 201.4
[M+HCOO]- 522.06290 222.9
[M+CH3COO]- 536.07855 221.3
[M+Na-2H]- 498.03937 212.1
[M]+ 477.06415 217.0
[M]- 477.06525 217.0
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.