CID 3766641

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

Structural Information

Molecular Formula
C33H30N2O6
SMILES
CCOC1=C(C=CC(=C1)C2C(=C(C3=C(C=C(C=C3)OCC4=CC=CC=C4)C)O)C(=O)C(=O)N2CC5=CN=CC=C5)O
InChI
InChI=1S/C33H30N2O6/c1-3-40-28-17-24(11-14-27(28)36)30-29(32(38)33(39)35(30)19-23-10-7-15-34-18-23)31(37)26-13-12-25(16-21(26)2)41-20-22-8-5-4-6-9-22/h4-18,30,36-37H,3,19-20H2,1-2H3
InChIKey
BQFSOZBGHJSRQA-UHFFFAOYSA-N
Compound name
5-(3-ethoxy-4-hydroxyphenyl)-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

550.2104 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.21768 238.5
[M+Na]+ 573.19962 253.3
[M+NH4]+ 568.24422 242.1
[M+K]+ 589.17356 247.3
[M-H]- 549.20312 245.3
[M+Na-2H]- 571.18507 246.3
[M]+ 550.20985 242.4
[M]- 550.21095 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.