CID 16428910

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

Structural Information

Molecular Formula
C24H17Cl2FN2O4
SMILES
COC1=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/C24H17Cl2FN2O4/c1-33-19-7-5-15(10-18(19)27)22(30)20-21(14-4-6-16(25)17(26)9-14)29(24(32)23(20)31)12-13-3-2-8-28-11-13/h2-11,21,30H,12H2,1H3/b22-20-
InChIKey
MCKVNSDZVVBQRI-XDOYNYLZSA-N
Compound name
(4Z)-5-(3,4-dichlorophenyl)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(pyridin-3-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 211.0
[M+Na]+ 509.04415 221.2
[M-H]- 485.04765 218.7
[M+NH4]+ 504.08875 218.2
[M+K]+ 525.01809 212.5
[M+H-H2O]+ 469.05219 200.1
[M+HCOO]- 531.05313 217.6
[M+CH3COO]- 545.06878 218.9
[M+Na-2H]- 507.02960 204.9
[M]+ 486.05438 214.3
[M]- 486.05548 214.3
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.