CID 509104

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

Structural Information

Molecular Formula
C22H15Cl3N2O3
SMILES
C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Cl)NC3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H15Cl3N2O3/c23-13-1-6-16(7-2-13)27-21(28)12-19(22(27)29)26-15-5-10-20(18(25)11-15)30-17-8-3-14(24)4-9-17/h1-11,19,26H,12H2
InChIKey
NPHSSSIONRAKNT-UHFFFAOYSA-N
Compound name
3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-(4-chlorophenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.01483 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.02211 206.4
[M+Na]+ 483.00405 216.4
[M-H]- 459.00755 216.2
[M+NH4]+ 478.04865 216.5
[M+K]+ 498.97799 208.3
[M+H-H2O]+ 443.01209 197.1
[M+HCOO]- 505.01303 213.6
[M+CH3COO]- 519.02868 215.1
[M+Na-2H]- 480.98950 203.1
[M]+ 460.01428 210.7
[M]- 460.01538 210.7
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.