CID 509103

1-benzyl-3-[3-chloro-4-(4-chlorophenoxy)anilino]pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C23H18Cl2N2O3
SMILES
C1C(C(=O)N(C1=O)CC2=CC=CC=C2)NC3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C23H18Cl2N2O3/c24-16-6-9-18(10-7-16)30-21-11-8-17(12-19(21)25)26-20-13-22(28)27(23(20)29)14-15-4-2-1-3-5-15/h1-12,20,26H,13-14H2
InChIKey
RDSCTZXIBJDORY-UHFFFAOYSA-N
Compound name
1-benzyl-3-[3-chloro-4-(4-chlorophenoxy)anilino]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.06946 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.07674 204.3
[M+Na]+ 463.05868 213.2
[M-H]- 439.06218 215.1
[M+NH4]+ 458.10328 214.8
[M+K]+ 479.03262 205.0
[M+H-H2O]+ 423.06672 194.3
[M+HCOO]- 485.06766 216.7
[M+CH3COO]- 499.08331 213.5
[M+Na-2H]- 461.04413 202.3
[M]+ 440.06891 208.0
[M]- 440.07001 208.0
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.