CID 11835416

4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-propoxyphenyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C28H28N2O6
SMILES
CCCOC1=CC=C(C=C1)C2/C(=C(\C3=CC(=C(C=C3)OC)OC)/O)/C(=O)C(=O)N2CC4=CN=CC=C4
InChI
InChI=1S/C28H28N2O6/c1-4-14-36-21-10-7-19(8-11-21)25-24(26(31)20-9-12-22(34-2)23(15-20)35-3)27(32)28(33)30(25)17-18-6-5-13-29-16-18/h5-13,15-16,25,31H,4,14,17H2,1-3H3/b26-24-
InChIKey
IBEZYZIAJKFMSK-LCUIJRPUSA-N
Compound name
(4Z)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-(4-propoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
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References

0
Patents

488.19473 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.20201 220.7
[M+Na]+ 511.18395 234.0
[M+NH4]+ 506.22855 224.4
[M+K]+ 527.15789 229.0
[M-H]- 487.18745 225.2
[M+Na-2H]- 509.16940 226.8
[M]+ 488.19418 223.6
[M]- 488.19528 223.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.