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 214.4
[M+Na]+ 511.18395 217.5
[M-H]- 487.18745 227.2
[M+NH4]+ 506.22855 217.5
[M+K]+ 527.15789 214.9
[M+H-H2O]+ 471.19199 203.8
[M+HCOO]- 533.19293 227.9
[M+CH3COO]- 547.20858 221.4
[M+Na-2H]- 509.16940 208.5
[M]+ 488.19418 214.9
[M]- 488.19528 214.9
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.