1-[2-(dimethylamino)ethyl]-4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-2,5-dihydro-1h-pyrrol-2-one (C25H30N2O5)

Structural Information

Molecular Formula

SMILES

CCOC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)OC)/O)C

InChI

InChI=1S/C25H30N2O5/c1-6-32-20-12-9-18(15-16(20)2)23(28)21-22(17-7-10-19(31-5)11-8-17)27(14-13-26(3)4)25(30)24(21)29/h7-12,15,22,28H,6,13-14H2,1-5H3/b23-21+

InChIKey

QFYCEZRZQYOCMB-XTQSDGFTSA-N

Compound name

(4E)-1-[2-(dimethylamino)ethyl]-4-[(4-ethoxy-3-methylphenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)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]+	439.222756	206.3
[M+Na]+	461.204698	212.0
[M-H]-	437.208204	215.1
[M+NH4]+	456.249303	216.0
[M+K]+	477.178638	208.4
[M+H-H2O]+	421.212740	196.9
[M+HCOO]-	483.213681	225.2
[M+CH3COO]-	497.229331	236.8
[M+Na-2H]-	459.190146	200.4
[M]+	438.21493142	210.8
[M]-	438.21602858	210.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.222756

206.3

[M+Na]+

461.204698

212.0

[M-H]-

437.208204

215.1

[M+NH4]+

456.249303

216.0

[M+K]+

477.178638

208.4

[M+H-H2O]+

421.212740

196.9

[M+HCOO]-

483.213681

225.2

[M+CH3COO]-

497.229331

236.8

[M+Na-2H]-

459.190146

200.4

[M]+

438.21493142

210.8

[M]-

438.21602858

210.8

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe