CID 3391331

4-(3-fluoro-4-methylbenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-[(pyridin-4-yl)methyl]-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C24H18F2N2O3
SMILES
CC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CC=NC=C3)C4=CC=CC=C4F)O)F
InChI
InChI=1S/C24H18F2N2O3/c1-14-6-7-16(12-19(14)26)22(29)20-21(17-4-2-3-5-18(17)25)28(24(31)23(20)30)13-15-8-10-27-11-9-15/h2-12,21,29H,13H2,1H3
InChIKey
MZCBLHNVUQYRLA-UHFFFAOYSA-N
Compound name
4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.12854 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.13582 205.5
[M+Na]+ 443.11776 218.5
[M+NH4]+ 438.16236 209.7
[M+K]+ 459.09170 212.7
[M-H]- 419.12126 208.0
[M+Na-2H]- 441.10321 211.5
[M]+ 420.12799 207.8
[M]- 420.12909 207.8
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.