CID 3433429

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

Structural Information

Molecular Formula
C26H29FN2O5
SMILES
CC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)F)O)C(=O)C(=O)N2CCCN4CCOCC4
InChI
InChI=1S/C26H29FN2O5/c1-17-4-6-18(7-5-17)23-22(24(30)19-8-9-21(33-2)20(27)16-19)25(31)26(32)29(23)11-3-10-28-12-14-34-15-13-28/h4-9,16,23,30H,3,10-15H2,1-2H3
InChIKey
NFCLGRVSTNDJLS-UHFFFAOYSA-N
Compound name
4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(4-methylphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.20605 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.21333 215.0
[M+Na]+ 491.19527 219.5
[M-H]- 467.19877 222.5
[M+NH4]+ 486.23987 219.5
[M+K]+ 507.16921 214.5
[M+H-H2O]+ 451.20331 203.2
[M+HCOO]- 513.20425 225.5
[M+CH3COO]- 527.21990 234.4
[M+Na-2H]- 489.18072 207.4
[M]+ 468.20550 212.4
[M]- 468.20660 212.4
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.