CID 16429343

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

Structural Information

Molecular Formula
C25H20Cl2N2O5
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)Cl)Cl)/O)OC
InChI
InChI=1S/C25H20Cl2N2O5/c1-33-19-8-6-16(11-20(19)34-2)23(30)21-22(15-5-7-17(26)18(27)10-15)29(25(32)24(21)31)13-14-4-3-9-28-12-14/h3-12,22,30H,13H2,1-2H3/b23-21-
InChIKey
WXYNNNPUGQXRPD-LNVKXUELSA-N
Compound name
(4Z)-5-(3,4-dichlorophenyl)-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

498.07492 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.08220 214.8
[M+Na]+ 521.06414 224.1
[M-H]- 497.06764 223.8
[M+NH4]+ 516.10874 221.4
[M+K]+ 537.03808 216.7
[M+H-H2O]+ 481.07218 204.6
[M+HCOO]- 543.07312 222.3
[M+CH3COO]- 557.08877 235.7
[M+Na-2H]- 519.04959 209.0
[M]+ 498.07437 220.7
[M]- 498.07547 220.7
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.