CID 5769063

4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-5-(4-pyridinyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C23H18FN3O3
SMILES
CC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=NC=C4)/O)F
InChI
InChI=1S/C23H18FN3O3/c1-14-4-5-17(11-18(14)24)21(28)19-20(16-6-9-25-10-7-16)27(23(30)22(19)29)13-15-3-2-8-26-12-15/h2-12,20,28H,13H2,1H3/b21-19-
InChIKey
GIGOQGRDNYCRJS-VZCXRCSSSA-N
Compound name
(4Z)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1332 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.14048 199.7
[M+Na]+ 426.12242 213.8
[M+NH4]+ 421.16702 204.3
[M+K]+ 442.09636 208.4
[M-H]- 402.12592 203.2
[M+Na-2H]- 424.10787 207.1
[M]+ 403.13265 202.5
[M]- 403.13375 202.5
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.