CID 3578151

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

Structural Information

Molecular Formula
C25H31N3O4
SMILES
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CN=CC=C3)O)C
InChI
InChI=1S/C25H31N3O4/c1-5-6-14-32-20-10-9-18(15-17(20)2)23(29)21-22(19-8-7-11-26-16-19)28(13-12-27(3)4)25(31)24(21)30/h7-11,15-16,22,29H,5-6,12-14H2,1-4H3
InChIKey
AJSGWLKXZXBYNB-UHFFFAOYSA-N
Compound name
4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-pyridin-3-ylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.23145 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.23873 209.3
[M+Na]+ 460.22067 219.9
[M+NH4]+ 455.26527 213.2
[M+K]+ 476.19461 215.7
[M-H]- 436.22417 212.3
[M+Na-2H]- 458.20612 213.3
[M]+ 437.23090 211.3
[M]- 437.23200 211.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.