CID 5900101

618075-13-1

Structural Information

Molecular Formula
C24H21F2N3O4
SMILES
COC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CC=C4F)/O)F
InChI
InChI=1S/C24H21F2N3O4/c1-33-19-8-7-15(13-18(19)26)22(30)20-21(16-5-2-3-6-17(16)25)29(24(32)23(20)31)11-4-10-28-12-9-27-14-28/h2-3,5-9,12-14,21,30H,4,10-11H2,1H3/b22-20+
InChIKey
PCAPHSCRVMQVAR-LSDHQDQOSA-N
Compound name
(4E)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.15002 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.15730 212.6
[M+Na]+ 476.13924 222.9
[M+NH4]+ 471.18384 215.2
[M+K]+ 492.11318 220.4
[M-H]- 452.14274 213.1
[M+Na-2H]- 474.12469 216.1
[M]+ 453.14947 213.7
[M]- 453.15057 213.7
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.