CID 2911396

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

Structural Information

Molecular Formula
C25H22N2O6
SMILES
COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=C(C=C4)O)OC)O
InChI
InChI=1S/C25H22N2O6/c1-32-18-8-5-16(6-9-18)23(29)21-22(17-7-10-19(28)20(12-17)33-2)27(25(31)24(21)30)14-15-4-3-11-26-13-15/h3-13,22,28-29H,14H2,1-2H3
InChIKey
PLELJHUFMONTLN-UHFFFAOYSA-N
Compound name
5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.1478 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.15508 208.3
[M+Na]+ 469.13702 221.7
[M+NH4]+ 464.18162 212.2
[M+K]+ 485.11096 217.7
[M-H]- 445.14052 212.4
[M+Na-2H]- 467.12247 214.6
[M]+ 446.14725 211.1
[M]- 446.14835 211.1
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.