CID 5841881

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

Structural Information

Molecular Formula
C33H36N2O7
SMILES
CCOC1=C(C=CC(=C1)C2/C(=C(/C3=C(C=C(C=C3)OCC4=CC=CC=C4)C)\O)/C(=O)C(=O)N2CCN5CCOCC5)O
InChI
InChI=1S/C33H36N2O7/c1-3-41-28-20-24(9-12-27(28)36)30-29(32(38)33(39)35(30)14-13-34-15-17-40-18-16-34)31(37)26-11-10-25(19-22(26)2)42-21-23-7-5-4-6-8-23/h4-12,19-20,30,36-37H,3,13-18,21H2,1-2H3/b31-29+
InChIKey
GTKYXGVMZVNKQU-OWWNRXNESA-N
Compound name
(4E)-5-(3-ethoxy-4-hydroxyphenyl)-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

572.25226 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.25954 239.9
[M+Na]+ 595.24148 241.5
[M-H]- 571.24498 250.0
[M+NH4]+ 590.28608 238.4
[M+K]+ 611.21542 237.1
[M+H-H2O]+ 555.24952 226.9
[M+HCOO]- 617.25046 248.6
[M+CH3COO]- 631.26611 252.4
[M+Na-2H]- 593.22693 230.9
[M]+ 572.25171 239.0
[M]- 572.25281 239.0
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.