CID 5769066

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

Structural Information

Molecular Formula
C23H18FN3O4
SMILES
COC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CN=CC=C4)/O)F
InChI
InChI=1S/C23H18FN3O4/c1-31-18-7-6-15(10-17(18)24)21(28)19-20(16-5-3-9-26-12-16)27(23(30)22(19)29)13-14-4-2-8-25-11-14/h2-12,20,28H,13H2,1H3/b21-19-
InChIKey
FIRXFEKQKYIUQQ-VZCXRCSSSA-N
Compound name
(4Z)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.12814 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.13542 202.6
[M+Na]+ 442.11736 216.2
[M+NH4]+ 437.16196 206.6
[M+K]+ 458.09130 211.3
[M-H]- 418.12086 205.7
[M+Na-2H]- 440.10281 209.5
[M]+ 419.12759 205.1
[M]- 419.12869 205.1
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.