CID 5957984

4-[4-(benzyloxy)-2-methylbenzoyl]-5-(3,4-dichlorophenyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2h-pyrrol-2-one

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-OHYPFYFLSA-N
Compound name
(4Z)-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 240.7
[M+Na]+ 603.14242 245.6
[M-H]- 579.14592 251.3
[M+NH4]+ 598.18702 241.6
[M+K]+ 619.11636 238.6
[M+H-H2O]+ 563.15046 228.3
[M+HCOO]- 625.15140 241.9
[M+CH3COO]- 639.16705 245.1
[M+Na-2H]- 601.12787 231.2
[M]+ 580.15265 242.4
[M]- 580.15375 242.4
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.