CID 509109

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

Structural Information

Molecular Formula
C26H24Cl2N2O4
SMILES
CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C26H24Cl2N2O4/c1-2-3-14-33-20-11-7-19(8-12-20)30-25(31)16-23(26(30)32)29-18-6-13-24(22(28)15-18)34-21-9-4-17(27)5-10-21/h4-13,15,23,29H,2-3,14,16H2,1H3
InChIKey
QCSOXNAUSCFTDA-UHFFFAOYSA-N
Compound name
1-(4-butoxyphenyl)-3-[3-chloro-4-(4-chlorophenoxy)anilino]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.1113 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.11858 219.7
[M+Na]+ 521.10052 227.7
[M-H]- 497.10402 230.3
[M+NH4]+ 516.14512 227.9
[M+K]+ 537.07446 219.9
[M+H-H2O]+ 481.10856 209.1
[M+HCOO]- 543.10950 231.2
[M+CH3COO]- 557.12515 239.9
[M+Na-2H]- 519.08597 215.7
[M]+ 498.11075 226.1
[M]- 498.11185 226.1
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.