CID 3542896

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

Structural Information

Molecular Formula
C30H32N2O4
SMILES
CC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OCC4=CC=CC=C4)C)O)C(=O)C(=O)N2CCN(C)C
InChI
InChI=1S/C30H32N2O4/c1-20-10-12-23(13-11-20)27-26(29(34)30(35)32(27)17-16-31(3)4)28(33)24-14-15-25(21(2)18-24)36-19-22-8-6-5-7-9-22/h5-15,18,27,33H,16-17,19H2,1-4H3
InChIKey
GEJQPRPMNKQLLZ-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-4-[hydroxy-(3-methyl-4-phenylmethoxyphenyl)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.2362 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.24348 221.0
[M+Na]+ 507.22542 225.6
[M-H]- 483.22892 232.4
[M+NH4]+ 502.27002 228.0
[M+K]+ 523.19936 220.1
[M+H-H2O]+ 467.23346 209.8
[M+HCOO]- 529.23440 239.1
[M+CH3COO]- 543.25005 245.2
[M+Na-2H]- 505.21087 214.3
[M]+ 484.23565 222.9
[M]- 484.23675 222.9
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.