CID 16429468

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

Structural Information

Molecular Formula
C31H28FN3O4
SMILES
CC1=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/C31H28FN3O4/c1-21-8-9-24(18-26(21)32)29(36)27-28(35(31(38)30(27)37)16-5-15-34-17-14-33-20-34)23-10-12-25(13-11-23)39-19-22-6-3-2-4-7-22/h2-4,6-14,17-18,20,28,36H,5,15-16,19H2,1H3/b29-27-
InChIKey
LCKDOEBXVDYFMP-OHYPFYFLSA-N
Compound name
(4Z)-4-[(3-fluoro-4-methylphenyl)-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

525.20636 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.21364 227.6
[M+Na]+ 548.19558 233.2
[M-H]- 524.19908 237.6
[M+NH4]+ 543.24018 231.1
[M+K]+ 564.16952 225.1
[M+H-H2O]+ 508.20362 214.4
[M+HCOO]- 570.20456 242.0
[M+CH3COO]- 584.22021 233.6
[M+Na-2H]- 546.18103 218.9
[M]+ 525.20581 227.4
[M]- 525.20691 227.4
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.