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 207.7
[M+Na]+ 460.22067 212.4
[M-H]- 436.22417 214.8
[M+NH4]+ 455.26527 215.7
[M+K]+ 476.19461 208.3
[M+H-H2O]+ 420.22871 197.5
[M+HCOO]- 482.22965 224.2
[M+CH3COO]- 496.24530 236.8
[M+Na-2H]- 458.20612 201.2
[M]+ 437.23090 210.3
[M]- 437.23200 210.3
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.