CID 3866496

618072-35-8

Structural Information

Molecular Formula
C28H28N2O6
SMILES
C1COCCN1CCN2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C28H28N2O6/c31-26(23-7-4-16-35-23)24-25(30(28(33)27(24)32)13-12-29-14-17-34-18-15-29)21-8-10-22(11-9-21)36-19-20-5-2-1-3-6-20/h1-11,16,25,32H,12-15,17-19H2
InChIKey
XUFJFXIAEQNCGU-UHFFFAOYSA-N
Compound name
3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.19473 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.20201 217.0
[M+Na]+ 511.18395 229.4
[M+NH4]+ 506.22855 221.6
[M+K]+ 527.15789 227.4
[M-H]- 487.18745 225.8
[M+Na-2H]- 509.16940 223.1
[M]+ 488.19418 221.1
[M]- 488.19528 221.1
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.