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]+ 526.213636 227.6
[M+Na]+ 548.195578 233.2
[M-H]- 524.199084 237.6
[M+NH4]+ 543.240183 231.1
[M+K]+ 564.169518 225.1
[M+H-H2O]+ 508.203620 214.4
[M+HCOO]- 570.204561 242.0
[M+CH3COO]- 584.220211 233.6
[M+Na-2H]- 546.181026 218.9
[M]+ 525.20581142 227.4
[M]- 525.20690858 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.