4-benzoyl-1-[2-(diethylamino)ethyl]-5-(2,4-dimethoxyphenyl)-3-hydroxy-1,5-dihydro-2h-pyrrol-2-one (C25H30N2O5)

Structural Information

Molecular Formula

SMILES

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

InChI

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

InChIKey

DLXAWLDBNNUKIO-XTQSDGFTSA-N

Compound name

(4E)-1-[2-(diethylamino)ethyl]-5-(2,4-dimethoxyphenyl)-4-[hydroxy(phenyl)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]+	439.222756	206.6
[M+Na]+	461.204698	211.4
[M-H]-	437.208204	215.0
[M+NH4]+	456.249303	216.0
[M+K]+	477.178638	207.7
[M+H-H2O]+	421.212740	196.8
[M+HCOO]-	483.213681	225.6
[M+CH3COO]-	497.229331	235.4
[M+Na-2H]-	459.190146	201.3
[M]+	438.21493142	210.7
[M]-	438.21602858	210.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.222756

206.6

[M+Na]+

461.204698

211.4

[M-H]-

437.208204

215.0

[M+NH4]+

456.249303

216.0

[M+K]+

477.178638

207.7

[M+H-H2O]+

421.212740

196.8

[M+HCOO]-

483.213681

225.6

[M+CH3COO]-

497.229331

235.4

[M+Na-2H]-

459.190146

201.3

[M]+

438.21493142

210.7

[M]-

438.21602858

210.7

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

4-benzoyl-1-[2-(diethylamino)ethyl]-5-(2,4-dimethoxyphenyl)-3-hydroxy-1,5-dihydro-2h-pyrrol-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe