CID 5904156

609793-50-2

Structural Information

Molecular Formula
C24H19FN2O4
SMILES
COC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CC=NC=C3)C4=CC=CC=C4)/O)F
InChI
InChI=1S/C24H19FN2O4/c1-31-19-8-7-17(13-18(19)25)22(28)20-21(16-5-3-2-4-6-16)27(24(30)23(20)29)14-15-9-11-26-12-10-15/h2-13,21,28H,14H2,1H3/b22-20+
InChIKey
WOVSHPHGRSVQLW-LSDHQDQOSA-N
Compound name
(4E)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.13287 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.14015 203.4
[M+Na]+ 441.12209 217.0
[M+NH4]+ 436.16669 208.1
[M+K]+ 457.09603 211.6
[M-H]- 417.12559 207.2
[M+Na-2H]- 439.10754 210.5
[M]+ 418.13232 206.2
[M]- 418.13342 206.2
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.