CID 509102

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

Structural Information

Molecular Formula
C22H16Cl2N2O3
SMILES
C1C(C(=O)N(C1=O)C2=CC=CC=C2)NC3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H16Cl2N2O3/c23-14-6-9-17(10-7-14)29-20-11-8-15(12-18(20)24)25-19-13-21(27)26(22(19)28)16-4-2-1-3-5-16/h1-12,19,25H,13H2
InChIKey
UPHOXVKOYKHXPN-UHFFFAOYSA-N
Compound name
3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-phenylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.0538 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.06108 200.0
[M+Na]+ 449.04302 209.3
[M-H]- 425.04652 211.0
[M+NH4]+ 444.08762 211.0
[M+K]+ 465.01696 201.2
[M+H-H2O]+ 409.05106 190.1
[M+HCOO]- 471.05200 212.7
[M+CH3COO]- 485.06765 209.6
[M+Na-2H]- 447.02847 198.4
[M]+ 426.05325 203.4
[M]- 426.05435 203.4
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.