PubChemLite - 1-[2-(diethylamino)ethyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-propoxyphenyl)-1,5-dihydro-2h-pyrrol-2-one (C27H33FN2O5)

Structural Information

Molecular Formula

SMILES

CCCOC1=CC=C(C=C1)C2/C(=C(\C3=CC(=C(C=C3)OC)F)/O)/C(=O)C(=O)N2CCN(CC)CC

InChI

InChI=1S/C27H33FN2O5/c1-5-16-35-20-11-8-18(9-12-20)24-23(25(31)19-10-13-22(34-4)21(28)17-19)26(32)27(33)30(24)15-14-29(6-2)7-3/h8-13,17,24,31H,5-7,14-16H2,1-4H3/b25-23-

InChIKey

UWMMQJBWWIRMOS-BZZOAKBMSA-N

Compound name

(4Z)-1-[2-(diethylamino)ethyl]-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(4-propoxyphenyl)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]+	485.24462	218.5
[M+Na]+	507.22656	223.3
[M-H]-	483.23006	225.4
[M+NH4]+	502.27116	226.2
[M+K]+	523.20050	218.8
[M+H-H2O]+	467.23460	207.6
[M+HCOO]-	529.23554	235.6
[M+CH3COO]-	543.25119	245.1
[M+Na-2H]-	505.21201	210.9
[M]+	484.23679	222.6
[M]-	484.23789	222.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.24462

218.5

[M+Na]+

507.22656

223.3

[M-H]-

483.23006

225.4

[M+NH4]+

502.27116

226.2

[M+K]+

523.20050

218.8

[M+H-H2O]+

467.23460

207.6

[M+HCOO]-

529.23554

235.6

[M+CH3COO]-

543.25119

245.1

[M+Na-2H]-

505.21201

210.9

[M]+

484.23679

222.6

[M]-

484.23789

222.6

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-propoxyphenyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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