CID 5826040

489463-85-6

Structural Information

Molecular Formula
C34H38N2O6
SMILES
CCOC1=CC=C(C=C1)C2/C(=C(/C3=C(C=C(C=C3)OCC4=CC=CC=C4)C)\O)/C(=O)C(=O)N2CCCN5CCOCC5
InChI
InChI=1S/C34H38N2O6/c1-3-41-27-12-10-26(11-13-27)31-30(33(38)34(39)36(31)17-7-16-35-18-20-40-21-19-35)32(37)29-15-14-28(22-24(29)2)42-23-25-8-5-4-6-9-25/h4-6,8-15,22,31,37H,3,7,16-21,23H2,1-2H3/b32-30+
InChIKey
ISWAJVXYKNACPZ-NHQGMKOOSA-N
Compound name
(4E)-5-(4-ethoxyphenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.273 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.28028 241.7
[M+Na]+ 593.26222 242.9
[M-H]- 569.26572 252.4
[M+NH4]+ 588.30682 240.8
[M+K]+ 609.23616 237.8
[M+H-H2O]+ 553.27026 228.1
[M+HCOO]- 615.27120 251.5
[M+CH3COO]- 629.28685 253.3
[M+Na-2H]- 591.24767 232.9
[M]+ 570.27245 240.9
[M]- 570.27355 240.9
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.