CID 509107

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

Structural Information

Molecular Formula
C24H20Cl2N2O4
SMILES
CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H20Cl2N2O4/c1-2-31-18-10-6-17(7-11-18)28-23(29)14-21(24(28)30)27-16-5-12-22(20(26)13-16)32-19-8-3-15(25)4-9-19/h3-13,21,27H,2,14H2,1H3
InChIKey
GOXQVIQQQHJUND-UHFFFAOYSA-N
Compound name
3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.08002 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.08730 211.0
[M+Na]+ 493.06924 220.0
[M-H]- 469.07274 222.1
[M+NH4]+ 488.11384 220.4
[M+K]+ 509.04318 212.6
[M+H-H2O]+ 453.07728 200.9
[M+HCOO]- 515.07822 223.3
[M+CH3COO]- 529.09387 220.0
[M+Na-2H]- 491.05469 208.1
[M]+ 470.07947 216.9
[M]- 470.08057 216.9
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.