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 212.2
[M+Na]+ 531.05262 221.4
[M-H]- 507.05612 223.7
[M+NH4]+ 526.09722 220.7
[M+K]+ 547.02656 209.3
[M+H-H2O]+ 491.06066 208.2
[M+HCOO]- 553.06160 227.0
[M+CH3COO]- 567.07725 233.9
[M+Na-2H]- 529.03807 209.2
[M]+ 508.06285 232.0
[M]- 508.06395 232.0
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.