CID 5939964

1-(3-(1h-imidazol-1-yl)propyl)-4-benzoyl-3-hydroxy-5-(4-methoxyphenyl)-1h-pyrrol-2(5h)-one

Structural Information

Molecular Formula
C24H23N3O4
SMILES
COC1=CC=C(C=C1)C2/C(=C(/C3=CC=CC=C3)\O)/C(=O)C(=O)N2CCCN4C=CN=C4
InChI
InChI=1S/C24H23N3O4/c1-31-19-10-8-17(9-11-19)21-20(22(28)18-6-3-2-4-7-18)23(29)24(30)27(21)14-5-13-26-15-12-25-16-26/h2-4,6-12,15-16,21,28H,5,13-14H2,1H3/b22-20+
InChIKey
WPTDPWMPDXYIND-LSDHQDQOSA-N
Compound name
(4E)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.16885 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.17613 199.9
[M+Na]+ 440.15807 206.0
[M-H]- 416.16157 208.1
[M+NH4]+ 435.20267 208.1
[M+K]+ 456.13201 199.9
[M+H-H2O]+ 400.16611 189.0
[M+HCOO]- 462.16705 216.8
[M+CH3COO]- 476.18270 222.1
[M+Na-2H]- 438.14352 194.7
[M]+ 417.16830 200.3
[M]- 417.16940 200.3
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.