CID 16429477

5-[4-(dimethylamino)phenyl]-4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C26H24FN3O3
SMILES
CC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)N(C)C)/O)F
InChI
InChI=1S/C26H24FN3O3/c1-16-6-7-19(13-21(16)27)24(31)22-23(18-8-10-20(11-9-18)29(2)3)30(26(33)25(22)32)15-17-5-4-12-28-14-17/h4-14,23,31H,15H2,1-3H3/b24-22-
InChIKey
BCLULUPJAJWVSP-GYHWCHFESA-N
Compound name
(4Z)-5-[4-(dimethylamino)phenyl]-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.18018 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.18746 211.3
[M+Na]+ 468.16940 224.3
[M+NH4]+ 463.21400 216.0
[M+K]+ 484.14334 219.0
[M-H]- 444.17290 216.2
[M+Na-2H]- 466.15485 218.2
[M]+ 445.17963 214.3
[M]- 445.18073 214.3
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.