CID 3146927

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

Structural Information

Molecular Formula
C24H28N2O4
SMILES
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=CC=C3)O)C
InChI
InChI=1S/C24H28N2O4/c1-5-30-19-12-11-18(15-16(19)2)22(27)20-21(17-9-7-6-8-10-17)26(14-13-25(3)4)24(29)23(20)28/h6-12,15,21,27H,5,13-14H2,1-4H3
InChIKey
HBMXHCIZVUBFBU-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-4-[(4-ethoxy-3-methylphenyl)-hydroxymethylidene]-5-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.2049 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.21218 201.1
[M+Na]+ 431.19412 212.1
[M+NH4]+ 426.23872 206.0
[M+K]+ 447.16806 207.8
[M-H]- 407.19762 204.9
[M+Na-2H]- 429.17957 205.7
[M]+ 408.20435 203.4
[M]- 408.20545 203.4
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.