CID 5819482

618073-90-8

Structural Information

Molecular Formula
C24H18BrFN2O3
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)Br)/O)F
InChI
InChI=1S/C24H18BrFN2O3/c1-14-4-5-17(11-19(14)26)22(29)20-21(16-6-8-18(25)9-7-16)28(24(31)23(20)30)13-15-3-2-10-27-12-15/h2-12,21,29H,13H2,1H3/b22-20+
InChIKey
GQGPJTCPSQUPAM-LSDHQDQOSA-N
Compound name
(4E)-5-(4-bromophenyl)-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

480.0485 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.05578 211.9
[M+Na]+ 503.03772 216.3
[M+NH4]+ 498.08232 213.6
[M+K]+ 519.01166 215.9
[M-H]- 479.04122 214.1
[M+Na-2H]- 501.02317 214.8
[M]+ 480.04795 211.9
[M]- 480.04905 211.9
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.