CID 2918709

4-[4-(benzyloxy)-2-methylbenzoyl]-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C27H28N2O4S
SMILES
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCN(C)C)C4=CC=CS4)O
InChI
InChI=1S/C27H28N2O4S/c1-18-16-20(33-17-19-8-5-4-6-9-19)11-12-21(18)25(30)23-24(22-10-7-15-34-22)29(14-13-28(2)3)27(32)26(23)31/h4-12,15-16,24,30H,13-14,17H2,1-3H3
InChIKey
PDZUCMWLEDKOSV-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.17697 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.18425 216.4
[M+Na]+ 499.16619 227.1
[M+NH4]+ 494.21079 222.1
[M+K]+ 515.14013 222.1
[M-H]- 475.16969 222.4
[M+Na-2H]- 497.15164 222.4
[M]+ 476.17642 219.9
[M]- 476.17752 219.9
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.