CID 6248303

4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-5-(3-nitrophenyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C26H29N3O8
SMILES
COC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC(=CC=C4)[N+](=O)[O-])/O)OC
InChI
InChI=1S/C26H29N3O8/c1-35-20-8-7-18(16-21(20)36-2)24(30)22-23(17-5-3-6-19(15-17)29(33)34)28(26(32)25(22)31)10-4-9-27-11-13-37-14-12-27/h3,5-8,15-16,23,30H,4,9-14H2,1-2H3/b24-22-
InChIKey
KWRMWEKOIICDBH-GYHWCHFESA-N
Compound name
(4Z)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.19547 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.20275 221.9
[M+Na]+ 534.18469 222.7
[M-H]- 510.18819 230.5
[M+NH4]+ 529.22929 222.9
[M+K]+ 550.15863 215.8
[M+H-H2O]+ 494.19273 214.7
[M+HCOO]- 556.19367 234.2
[M+CH3COO]- 570.20932 235.5
[M+Na-2H]- 532.17014 218.8
[M]+ 511.19492 219.7
[M]- 511.19602 219.7
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.