CID 5975851

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

Structural Information

Molecular Formula
C34H32N2O6
SMILES
CCOC1=C(C=C(C=C1)C2/C(=C(\C3=C(C=C(C=C3)OCC4=CC=CC=C4)C)/O)/C(=O)C(=O)N2CC5=CN=CC=C5)OC
InChI
InChI=1S/C34H32N2O6/c1-4-41-28-15-12-25(18-29(28)40-3)31-30(33(38)34(39)36(31)20-24-11-8-16-35-19-24)32(37)27-14-13-26(17-22(27)2)42-21-23-9-6-5-7-10-23/h5-19,31,37H,4,20-21H2,1-3H3/b32-30-
InChIKey
DPGSAZKAHJVBMM-GCUVURNUSA-N
Compound name
(4Z)-5-(4-ethoxy-3-methoxyphenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.226 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.23328 239.5
[M+Na]+ 587.21522 243.9
[M-H]- 563.21872 251.2
[M+NH4]+ 582.25982 240.5
[M+K]+ 603.18916 237.8
[M+H-H2O]+ 547.22326 225.6
[M+HCOO]- 609.22420 254.2
[M+CH3COO]- 623.23985 252.9
[M+Na-2H]- 585.20067 232.4
[M]+ 564.22545 242.4
[M]- 564.22655 242.4
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.