1-[2-(diethylamino)ethyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1,5-dihydro-2h-pyrrol-2-one (C25H29FN2O5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H29FN2O5/c1-5-27(6-2)13-14-28-22(16-7-10-18(32-3)11-8-16)21(24(30)25(28)31)23(29)17-9-12-20(33-4)19(26)15-17/h7-12,15,22,29H,5-6,13-14H2,1-4H3/b23-21-

InChIKey

AGDOBUYGWXQRNV-LNVKXUELSA-N

Compound name

(4Z)-1-[2-(diethylamino)ethyl]-4-[(3-fluoro-4-methoxyphenyl)-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]+	457.213326	209.6
[M+Na]+	479.195268	215.3
[M-H]-	455.198774	216.9
[M+NH4]+	474.239873	218.5
[M+K]+	495.169208	211.3
[M+H-H2O]+	439.203310	199.1
[M+HCOO]-	501.204251	227.5
[M+CH3COO]-	515.219901	239.4
[M+Na-2H]-	477.180716	203.1
[M]+	456.20550142	213.1
[M]-	456.20659858	213.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.213326

209.6

[M+Na]+

479.195268

215.3

[M-H]-

455.198774

216.9

[M+NH4]+

474.239873

218.5

[M+K]+

495.169208

211.3

[M+H-H2O]+

439.203310

199.1

[M+HCOO]-

501.204251

227.5

[M+CH3COO]-

515.219901

239.4

[M+Na-2H]-

477.180716

203.1

[M]+

456.20550142

213.1

[M]-

456.20659858

213.1

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe