CID 5843146

488121-11-5

Structural Information

Molecular Formula
C38H38N2O6
SMILES
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC(=CC=C5)OC6=CC=CC=C6)/O
InChI
InChI=1S/C38H38N2O6/c1-27-24-31(45-26-28-10-4-2-5-11-28)16-17-33(27)36(41)34-35(29-12-8-15-32(25-29)46-30-13-6-3-7-14-30)40(38(43)37(34)42)19-9-18-39-20-22-44-23-21-39/h2-8,10-17,24-25,35,41H,9,18-23,26H2,1H3/b36-34+
InChIKey
COLGSWUNYBFBOL-JMUUFCRMSA-N
Compound name
(4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

618.273 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.28028 251.7
[M+Na]+ 641.26222 251.8
[M-H]- 617.26572 264.8
[M+NH4]+ 636.30682 247.8
[M+K]+ 657.23616 246.3
[M+H-H2O]+ 601.27026 236.3
[M+HCOO]- 663.27120 260.8
[M+CH3COO]- 677.28685 254.3
[M+Na-2H]- 639.24767 242.7
[M]+ 618.27245 248.9
[M]- 618.27355 248.9
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.