CID 3799811

4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-5-(4-propoxyphenyl)-1-[(pyridin-4-yl)methyl]-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C27H25FN2O4
SMILES
CCCOC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)C)F)O)C(=O)C(=O)N2CC4=CC=NC=C4
InChI
InChI=1S/C27H25FN2O4/c1-3-14-34-21-8-6-19(7-9-21)24-23(25(31)20-5-4-17(2)22(28)15-20)26(32)27(33)30(24)16-18-10-12-29-13-11-18/h4-13,15,24,31H,3,14,16H2,1-2H3
InChIKey
MKBIHYBZSITNTJ-UHFFFAOYSA-N
Compound name
4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-(4-propoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.17984 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.18712 217.0
[M+Na]+ 483.16906 230.3
[M+NH4]+ 478.21366 221.1
[M+K]+ 499.14300 224.4
[M-H]- 459.17256 220.8
[M+Na-2H]- 481.15451 223.0
[M]+ 460.17929 219.7
[M]- 460.18039 219.7
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.

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No patent data available for this compound.