CID 509110

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

Structural Information

Molecular Formula
C28H19Cl2N3O5S
SMILES
C1C(C(=O)N(C1=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])NC4=CC(=C(C=C4)OC5=CC=C(C=C5)Cl)Cl
InChI
InChI=1S/C28H19Cl2N3O5S/c29-17-1-8-21(9-2-17)38-26-14-3-18(15-24(26)30)31-25-16-27(34)32(28(25)35)19-4-10-22(11-5-19)39-23-12-6-20(7-13-23)33(36)37/h1-15,25,31H,16H2
InChIKey
GTTRZOCWMOGMEB-UHFFFAOYSA-N
Compound name
3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

579.04224 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.04952 237.6
[M+Na]+ 602.03146 242.5
[M-H]- 578.03496 250.8
[M+NH4]+ 597.07606 241.0
[M+K]+ 618.00540 231.1
[M+H-H2O]+ 562.03950 231.1
[M+HCOO]- 624.04044 245.1
[M+CH3COO]- 638.05609 245.5
[M+Na-2H]- 600.01691 235.2
[M]+ 579.04169 241.4
[M]- 579.04279 241.4
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.