CID 11835415

5-[4-(benzyloxy)phenyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-1-[3-(1h-imidazol-1-yl)propyl]-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C31H28FN3O5
SMILES
COC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5)/O)F
InChI
InChI=1S/C31H28FN3O5/c1-39-26-13-10-23(18-25(26)32)29(36)27-28(35(31(38)30(27)37)16-5-15-34-17-14-33-20-34)22-8-11-24(12-9-22)40-19-21-6-3-2-4-7-21/h2-4,6-14,17-18,20,28,36H,5,15-16,19H2,1H3/b29-27-
InChIKey
BUQDGONAZDTDIT-OHYPFYFLSA-N
Compound name
(4Z)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

541.2013 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.20858 236.0
[M+Na]+ 564.19052 248.5
[M+NH4]+ 559.23512 238.9
[M+K]+ 580.16446 244.7
[M-H]- 540.19402 240.5
[M+Na-2H]- 562.17597 242.4
[M]+ 541.20075 238.7
[M]- 541.20185 238.7
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.