CID 16429401

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

Structural Information

Molecular Formula
C27H25FN2O4
SMILES
CCCOC1=CC=C(C=C1)C2/C(=C(\C3=CC(=C(C=C3)C)F)/O)/C(=O)C(=O)N2CC4=CN=CC=C4
InChI
InChI=1S/C27H25FN2O4/c1-3-13-34-21-10-8-19(9-11-21)24-23(25(31)20-7-6-17(2)22(28)14-20)26(32)27(33)30(24)16-18-5-4-12-29-15-18/h4-12,14-15,24,31H,3,13,16H2,1-2H3/b25-23-
InChIKey
AAXZZWFKTQNXOV-BZZOAKBMSA-N
Compound name
(4Z)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-(4-propoxyphenyl)-1-(pyridin-3-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.

Patent stripe

No patent data available for this compound.