CID 3560836

4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-5-(3-hydroxyphenyl)-1-[3-(1h-imidazol-1-yl)propyl]-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C24H22FN3O4
SMILES
CC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=CC=C4)O)O)F
InChI
InChI=1S/C24H22FN3O4/c1-15-6-7-17(13-19(15)25)22(30)20-21(16-4-2-5-18(29)12-16)28(24(32)23(20)31)10-3-9-27-11-8-26-14-27/h2,4-8,11-14,21,29-30H,3,9-10H2,1H3
InChIKey
YGYWJZYGRFZRRA-UHFFFAOYSA-N
Compound name
4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.15942 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.16670 208.6
[M+Na]+ 458.14864 219.7
[M+NH4]+ 453.19324 211.8
[M+K]+ 474.12258 217.7
[M-H]- 434.15214 210.3
[M+Na-2H]- 456.13409 212.7
[M]+ 435.15887 210.2
[M]- 435.15997 210.2
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.