1-[2-(diethylamino)ethyl]-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-methylphenyl)-2,5-dihydro-1h-pyrrol-2-one (C26H32N2O4)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCN1C(C(=C(C2=C(C=C(C=C2)OC)C)O)C(=O)C1=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H32N2O4/c1-6-27(7-2)14-15-28-23(19-10-8-17(3)9-11-19)22(25(30)26(28)31)24(29)21-13-12-20(32-5)16-18(21)4/h8-13,16,23,29H,6-7,14-15H2,1-5H3

InChIKey

DPXGBPLUVPJBBI-UHFFFAOYSA-N

Compound name

1-[2-(diethylamino)ethyl]-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)pyrrolidine-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	208.2
[M+Na]+	459.225418	213.8
[M-H]-	435.228924	216.8
[M+NH4]+	454.270023	218.1
[M+K]+	475.199358	209.2
[M+H-H2O]+	419.233460	198.8
[M+HCOO]-	481.234401	226.7
[M+CH3COO]-	495.250051	237.5
[M+Na-2H]-	457.210866	201.5
[M]+	436.23565142	211.7
[M]-	436.23674858	211.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.243476

208.2

[M+Na]+

459.225418

213.8

[M-H]-

435.228924

216.8

[M+NH4]+

454.270023

218.1

[M+K]+

475.199358

209.2

[M+H-H2O]+

419.233460

198.8

[M+HCOO]-

481.234401

226.7

[M+CH3COO]-

495.250051

237.5

[M+Na-2H]-

457.210866

201.5

[M]+

436.23565142

211.7

[M]-

436.23674858

211.7

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

1-[2-(diethylamino)ethyl]-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-methylphenyl)-2,5-dihydro-1h-pyrrol-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe