1-[2-(dimethylamino)ethyl]-3-hydroxy-4-[2-methyl-4-(2-methylpropoxy)benzoyl]-5-phenyl-2,5-dihydro-1h-pyrrol-2-one (C26H32N2O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)OCC(C)C)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=CC=C3)O

InChI

InChI=1S/C26H32N2O4/c1-17(2)16-32-20-11-12-21(18(3)15-20)24(29)22-23(19-9-7-6-8-10-19)28(14-13-27(4)5)26(31)25(22)30/h6-12,15,17,23,29H,13-14,16H2,1-5H3

InChIKey

XVICLTCPQRQVBY-UHFFFAOYSA-N

Compound name

1-[2-(dimethylamino)ethyl]-4-[hydroxy-[2-methyl-4-(2-methylpropoxy)phenyl]methylidene]-5-phenylpyrrolidine-2,3-dione

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	437.243476	208.0
[M+Na]+	459.225418	212.3
[M-H]-	435.228924	216.3
[M+NH4]+	454.270023	217.5
[M+K]+	475.199358	208.3
[M+H-H2O]+	419.233460	198.5
[M+HCOO]-	481.234401	225.5
[M+CH3COO]-	495.250051	237.1
[M+Na-2H]-	457.210866	200.9
[M]+	436.23565142	210.4
[M]-	436.23674858	210.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.243476

208.0

[M+Na]+

459.225418

212.3

[M-H]-

435.228924

216.3

[M+NH4]+

454.270023

217.5

[M+K]+

475.199358

208.3

[M+H-H2O]+

419.233460

198.5

[M+HCOO]-

481.234401

225.5

[M+CH3COO]-

495.250051

237.1

[M+Na-2H]-

457.210866

200.9

[M]+

436.23565142

210.4

[M]-

436.23674858

210.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe