CID 5769068

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

Structural Information

Molecular Formula
C23H21FN4O4
SMILES
COC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=NC=C4)/O)F
InChI
InChI=1S/C23H21FN4O4/c1-32-18-4-3-16(13-17(18)24)21(29)19-20(15-5-7-25-8-6-15)28(23(31)22(19)30)11-2-10-27-12-9-26-14-27/h3-9,12-14,20,29H,2,10-11H2,1H3/b21-19-
InChIKey
ZODLQBPRYHSYSJ-VZCXRCSSSA-N
Compound name
(4Z)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.1547 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.16198 206.6
[M+Na]+ 459.14392 217.9
[M+NH4]+ 454.18852 209.5
[M+K]+ 475.11786 216.0
[M-H]- 435.14742 208.0
[M+Na-2H]- 457.12937 211.4
[M]+ 436.15415 208.1
[M]- 436.15525 208.1
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.