CID 3782548

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

Structural Information

Molecular Formula
C25H31N3O4
SMILES
CC1=C(C=CC(=C1)OCC(C)C)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=NC=C3)O
InChI
InChI=1S/C25H31N3O4/c1-16(2)15-32-19-6-7-20(17(3)14-19)23(29)21-22(18-8-10-26-11-9-18)28(13-12-27(4)5)25(31)24(21)30/h6-11,14,16,22,29H,12-13,15H2,1-5H3
InChIKey
GEUHYAMTUJHIOC-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-4-[hydroxy-[2-methyl-4-(2-methylpropoxy)phenyl]methylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.23145 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.23873 208.2
[M+Na]+ 460.22067 218.5
[M+NH4]+ 455.26527 212.0
[M+K]+ 476.19461 215.2
[M-H]- 436.22417 211.1
[M+Na-2H]- 458.20612 212.0
[M]+ 437.23090 210.1
[M]- 437.23200 210.1
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.