CID 509108

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

Structural Information

Molecular Formula
C25H22Cl2N2O4
SMILES
CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C25H22Cl2N2O4/c1-2-13-32-19-10-6-18(7-11-19)29-24(30)15-22(25(29)31)28-17-5-12-23(21(27)14-17)33-20-8-3-16(26)4-9-20/h3-12,14,22,28H,2,13,15H2,1H3
InChIKey
GPWLLHJUTCKGSP-UHFFFAOYSA-N
Compound name
3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.09567 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.10295 215.3
[M+Na]+ 507.08489 223.8
[M-H]- 483.08839 226.2
[M+NH4]+ 502.12949 224.2
[M+K]+ 523.05883 216.2
[M+H-H2O]+ 467.09293 205.0
[M+HCOO]- 529.09387 227.2
[M+CH3COO]- 543.10952 237.1
[M+Na-2H]- 505.07034 211.9
[M]+ 484.09512 221.5
[M]- 484.09622 221.5
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.