1-[2-(dimethylamino)ethyl]-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-methylphenyl)-2,5-dihydro-1h-pyrrol-2-one (C24H28N2O4)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)C2C(=C(C3=C(C=C(C=C3)OC)C)O)C(=O)C(=O)N2CCN(C)C

InChI

InChI=1S/C24H28N2O4/c1-15-6-8-17(9-7-15)21-20(23(28)24(29)26(21)13-12-25(3)4)22(27)19-11-10-18(30-5)14-16(19)2/h6-11,14,21,27H,12-13H2,1-5H3

InChIKey

GVNMFMLIUNIOCB-UHFFFAOYSA-N

Compound name

1-[2-(dimethylamino)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]+	409.212176	199.3
[M+Na]+	431.194118	205.7
[M-H]-	407.197624	208.3
[M+NH4]+	426.238723	210.4
[M+K]+	447.168058	201.5
[M+H-H2O]+	391.202160	190.2
[M+HCOO]-	453.203101	218.4
[M+CH3COO]-	467.218751	231.7
[M+Na-2H]-	429.179566	193.6
[M]+	408.20435142	202.1
[M]-	408.20544858	202.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.212176

199.3

[M+Na]+

431.194118

205.7

[M-H]-

407.197624

208.3

[M+NH4]+

426.238723

210.4

[M+K]+

447.168058

201.5

[M+H-H2O]+

391.202160

190.2

[M+HCOO]-

453.203101

218.4

[M+CH3COO]-

467.218751

231.7

[M+Na-2H]-

429.179566

193.6

[M]+

408.20435142

202.1

[M]-

408.20544858

202.1

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-(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

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