CID 5942857

488731-77-7

Structural Information

Molecular Formula
C31H30Cl2N2O5
SMILES
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC(=C(C=C5)Cl)Cl)/O
InChI
InChI=1S/C31H30Cl2N2O5/c1-20-17-23(40-19-21-5-3-2-4-6-21)8-9-24(20)29(36)27-28(22-7-10-25(32)26(33)18-22)35(31(38)30(27)37)12-11-34-13-15-39-16-14-34/h2-10,17-18,28,36H,11-16,19H2,1H3/b29-27+
InChIKey
GCISIQMRDSUNFR-ORIPQNMZSA-N
Compound name
(4E)-5-(3,4-dichlorophenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.1532 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.16048 239.0
[M+Na]+ 603.14242 254.3
[M+NH4]+ 598.18702 244.0
[M+K]+ 619.11636 247.0
[M-H]- 579.14592 247.2
[M+Na-2H]- 601.12787 245.1
[M]+ 580.15265 244.0
[M]- 580.15375 244.0
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.