CID 6078363

618076-11-2

Structural Information

Molecular Formula
C24H17Cl2FN2O3
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)Cl)Cl)/O)F
InChI
InChI=1S/C24H17Cl2FN2O3/c1-13-4-5-16(10-19(13)27)22(30)20-21(15-6-7-17(25)18(26)9-15)29(24(32)23(20)31)12-14-3-2-8-28-11-14/h2-11,21,30H,12H2,1H3/b22-20+
InChIKey
RNGZBVHGIHWGBN-LSDHQDQOSA-N
Compound name
(4E)-5-(3,4-dichlorophenyl)-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

470.06003 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.06731 210.1
[M+Na]+ 493.04925 226.1
[M+NH4]+ 488.09385 215.8
[M+K]+ 509.02319 218.9
[M-H]- 469.05275 214.4
[M+Na-2H]- 491.03470 217.1
[M]+ 470.05948 214.1
[M]- 470.06058 214.1
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.