1-[2-(diethylamino)ethyl]-5-(4-ethylphenyl)-3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2,5-dihydro-1h-pyrrol-2-one (C27H34N2O4)

Structural Information

Molecular Formula

SMILES

CCC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)C)O)C(=O)C(=O)N2CCN(CC)CC

InChI

InChI=1S/C27H34N2O4/c1-6-19-9-11-20(12-10-19)24-23(25(30)21-13-14-22(33-5)18(4)17-21)26(31)27(32)29(24)16-15-28(7-2)8-3/h9-14,17,24,30H,6-8,15-16H2,1-5H3

InChIKey

AKMNZTXWKAHMGY-UHFFFAOYSA-N

Compound name

1-[2-(diethylamino)ethyl]-5-(4-ethylphenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]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]+	451.259136	212.7
[M+Na]+	473.241078	217.7
[M-H]-	449.244584	221.0
[M+NH4]+	468.285683	222.0
[M+K]+	489.215018	213.0
[M+H-H2O]+	433.249120	203.0
[M+HCOO]-	495.250061	230.8
[M+CH3COO]-	509.265711	240.4
[M+Na-2H]-	471.226526	205.5
[M]+	450.25131142	216.4
[M]-	450.25240858	216.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

451.259136

212.7

[M+Na]+

473.241078

217.7

[M-H]-

449.244584

221.0

[M+NH4]+

468.285683

222.0

[M+K]+

489.215018

213.0

[M+H-H2O]+

433.249120

203.0

[M+HCOO]-

495.250061

230.8

[M+CH3COO]-

509.265711

240.4

[M+Na-2H]-

471.226526

205.5

[M]+

450.25131142

216.4

[M]-

450.25240858

216.4

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]-5-(4-ethylphenyl)-3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2,5-dihydro-1h-pyrrol-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe