CID 5918320

618074-47-8

Structural Information

Molecular Formula
C24H17Cl2FN2O4
SMILES
COC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CC=NC=C3)C4=CC(=C(C=C4)Cl)Cl)/O)F
InChI
InChI=1S/C24H17Cl2FN2O4/c1-33-19-5-3-15(11-18(19)27)22(30)20-21(14-2-4-16(25)17(26)10-14)29(24(32)23(20)31)12-13-6-8-28-9-7-13/h2-11,21,30H,12H2,1H3/b22-20+
InChIKey
ZFVPQPAABLMIIG-LSDHQDQOSA-N
Compound name
(4E)-5-(3,4-dichlorophenyl)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.05493 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.06221 212.4
[M+Na]+ 509.04415 227.9
[M+NH4]+ 504.08875 217.5
[M+K]+ 525.01809 221.3
[M-H]- 485.04765 216.3
[M+Na-2H]- 507.02960 219.0
[M]+ 486.05438 216.2
[M]- 486.05548 216.2
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.