CID 509112

2,5-pyrrolidinedione, 3-[[3-chloro-4-(4-chlorophenoxy)phenyl]amino]-1-(1-naphthalenyl)-

Structural Information

Molecular Formula
C26H18Cl2N2O3
SMILES
C1C(C(=O)N(C1=O)C2=CC=CC3=CC=CC=C32)NC4=CC(=C(C=C4)OC5=CC=C(C=C5)Cl)Cl
InChI
InChI=1S/C26H18Cl2N2O3/c27-17-8-11-19(12-9-17)33-24-13-10-18(14-21(24)28)29-22-15-25(31)30(26(22)32)23-7-3-5-16-4-1-2-6-20(16)23/h1-14,22,29H,15H2
InChIKey
QOVTXRUJJXKTCT-UHFFFAOYSA-N
Compound name
3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-naphthalen-1-ylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.06946 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.07674 214.2
[M+Na]+ 499.05868 223.7
[M-H]- 475.06218 225.8
[M+NH4]+ 494.10328 224.0
[M+K]+ 515.03262 215.0
[M+H-H2O]+ 459.06672 203.5
[M+HCOO]- 521.06766 225.1
[M+CH3COO]- 535.08331 222.8
[M+Na-2H]- 497.04413 212.6
[M]+ 476.06891 218.2
[M]- 476.07001 218.2
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.