CID 2938219

4-(3-fluoro-4-methoxybenzoyl)-5-(2-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=CC=C4F)O)F
InChI
InChI=1S/C25H26F2N2O5/c1-33-20-8-7-16(15-19(20)27)23(30)21-22(17-5-2-3-6-18(17)26)29(25(32)24(21)31)10-4-9-28-11-13-34-14-12-28/h2-3,5-8,15,22,30H,4,9-14H2,1H3
InChIKey
GQTXHNCKJBDKQB-UHFFFAOYSA-N
Compound name
4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(2-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 219.7
[M+Na]+ 495.17019 229.1
[M+NH4]+ 490.21479 222.2
[M+K]+ 511.14413 225.1
[M-H]- 471.17369 221.8
[M+Na-2H]- 493.15564 221.4
[M]+ 472.18042 221.1
[M]- 472.18152 221.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.