CID 16429430

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

Structural Information

Molecular Formula
C27H25FN2O5
SMILES
CCCOC1=CC=C(C=C1)C2/C(=C(\C3=CC(=C(C=C3)OC)F)/O)/C(=O)C(=O)N2CC4=CN=CC=C4
InChI
InChI=1S/C27H25FN2O5/c1-3-13-35-20-9-6-18(7-10-20)24-23(25(31)19-8-11-22(34-2)21(28)14-19)26(32)27(33)30(24)16-17-5-4-12-29-15-17/h4-12,14-15,24,31H,3,13,16H2,1-2H3/b25-23-
InChIKey
LFQRACKNVFTHRU-BZZOAKBMSA-N
Compound name
(4Z)-4-[(3-fluoro-4-methoxyphenyl)-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

476.17474 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.18202 215.2
[M+Na]+ 499.16396 221.7
[M-H]- 475.16746 223.0
[M+NH4]+ 494.20856 220.7
[M+K]+ 515.13790 215.2
[M+H-H2O]+ 459.17200 202.7
[M+HCOO]- 521.17294 230.4
[M+CH3COO]- 535.18859 235.7
[M+Na-2H]- 497.14941 209.4
[M]+ 476.17419 216.3
[M]- 476.17529 216.3
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.