CID 4253701

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

Structural Information

Molecular Formula
C25H26F2N2O5
SMILES
COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)F)O)F
InChI
InChI=1S/C25H26F2N2O5/c1-33-20-8-5-17(15-19(20)27)23(30)21-22(16-3-6-18(26)7-4-16)29(25(32)24(21)31)10-2-9-28-11-13-34-14-12-28/h3-8,15,22,30H,2,9-14H2,1H3
InChIKey
RLDBRVFYOUXSID-UHFFFAOYSA-N
Compound name
4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.18097 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.18825 214.1
[M+Na]+ 495.17019 219.1
[M-H]- 471.17369 220.4
[M+NH4]+ 490.21479 218.3
[M+K]+ 511.14413 213.7
[M+H-H2O]+ 455.17823 201.4
[M+HCOO]- 517.17917 223.9
[M+CH3COO]- 531.19482 234.1
[M+Na-2H]- 493.15564 206.3
[M]+ 472.18042 210.2
[M]- 472.18152 210.2
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.