CID 16429478

5-[4-(benzyloxy)phenyl]-4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C31H25FN2O4
SMILES
CC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5)/O)F
InChI
InChI=1S/C31H25FN2O4/c1-20-9-10-24(16-26(20)32)29(35)27-28(34(31(37)30(27)36)18-22-8-5-15-33-17-22)23-11-13-25(14-12-23)38-19-21-6-3-2-4-7-21/h2-17,28,35H,18-19H2,1H3/b29-27-
InChIKey
ZDQTWTLMROQOFS-OHYPFYFLSA-N
Compound name
(4Z)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-(4-phenylmethoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.17984 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.18712 225.6
[M+Na]+ 531.16906 231.5
[M-H]- 507.17256 236.1
[M+NH4]+ 526.21366 228.9
[M+K]+ 547.14300 223.2
[M+H-H2O]+ 491.17710 211.4
[M+HCOO]- 553.17804 240.1
[M+CH3COO]- 567.19369 231.8
[M+Na-2H]- 529.15451 219.5
[M]+ 508.17929 223.7
[M]- 508.18039 223.7
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.