CID 5847237

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

Structural Information

Molecular Formula
C31H32N2O6
SMILES
CC1=C(C=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC(=CC=C4)OC5=CC=CC=C5)/O)OC
InChI
InChI=1S/C31H32N2O6/c1-21-19-23(11-12-26(21)37-2)29(34)27-28(22-7-6-10-25(20-22)39-24-8-4-3-5-9-24)33(31(36)30(27)35)14-13-32-15-17-38-18-16-32/h3-12,19-20,28,34H,13-18H2,1-2H3/b29-27-
InChIKey
XLSHAFTXDXQHKH-OHYPFYFLSA-N
Compound name
(4Z)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

528.226 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.23328 230.5
[M+Na]+ 551.21522 243.7
[M+NH4]+ 546.25982 234.5
[M+K]+ 567.18916 238.6
[M-H]- 527.21872 238.4
[M+Na-2H]- 549.20067 236.7
[M]+ 528.22545 234.4
[M]- 528.22655 234.4
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.

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No patent data available for this compound.