CID 3858065

1-[2-(diethylamino)ethyl]-5-(4-ethoxyphenyl)-4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C26H31FN2O4
SMILES
CCN(CC)CCN1C(C(=C(C2=CC(=C(C=C2)C)F)O)C(=O)C1=O)C3=CC=C(C=C3)OCC
InChI
InChI=1S/C26H31FN2O4/c1-5-28(6-2)14-15-29-23(18-10-12-20(13-11-18)33-7-3)22(25(31)26(29)32)24(30)19-9-8-17(4)21(27)16-19/h8-13,16,23,30H,5-7,14-15H2,1-4H3
InChIKey
QASQYXHXGFPEOE-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-5-(4-ethoxyphenyl)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.22678 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.23406 215.4
[M+Na]+ 477.21600 225.2
[M+NH4]+ 472.26060 219.1
[M+K]+ 493.18994 220.6
[M-H]- 453.21950 217.6
[M+Na-2H]- 475.20145 218.3
[M]+ 454.22623 217.0
[M]- 454.22733 217.0
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.