CID 16429344

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

Structural Information

Molecular Formula
C25H21BrN2O5
SMILES
COC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)Br)/O)OC
InChI
InChI=1S/C25H21BrN2O5/c1-32-19-10-7-17(12-20(19)33-2)23(29)21-22(16-5-8-18(26)9-6-16)28(25(31)24(21)30)14-15-4-3-11-27-13-15/h3-13,22,29H,14H2,1-2H3/b23-21-
InChIKey
SHPCMNZOHCIJOE-LNVKXUELSA-N
Compound name
(4Z)-5-(4-bromophenyl)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.0634 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.07068 214.5
[M+Na]+ 531.05262 218.9
[M+NH4]+ 526.09722 215.9
[M+K]+ 547.02656 219.5
[M-H]- 507.05612 217.4
[M+Na-2H]- 529.03807 217.5
[M]+ 508.06285 214.7
[M]- 508.06395 214.7
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.