PubChemLite - 4-[4-(benzyloxy)-2-methylbenzoyl]-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2h-pyrrol-2-one (C34H38N2O7)

Structural Information

Molecular Formula

SMILES

CCOC1=C(C=C(C=C1)C2/C(=C(\C3=C(C=C(C=C3)OCC4=CC=CC=C4)C)/O)/C(=O)C(=O)N2CCN5CCOCC5)OC

InChI

InChI=1S/C34H38N2O7/c1-4-42-28-13-10-25(21-29(28)40-3)31-30(33(38)34(39)36(31)15-14-35-16-18-41-19-17-35)32(37)27-12-11-26(20-23(27)2)43-22-24-8-6-5-7-9-24/h5-13,20-21,31,37H,4,14-19,22H2,1-3H3/b32-30-

InChIKey

KRVPCCJTDWIJOV-GCUVURNUSA-N

Compound name

(4Z)-5-(4-ethoxy-3-methoxyphenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)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]+	587.27518	244.2
[M+Na]+	609.25712	245.9
[M-H]-	585.26062	255.4
[M+NH4]+	604.30172	242.8
[M+K]+	625.23106	241.9
[M+H-H2O]+	569.26516	230.7
[M+HCOO]-	631.26610	254.1
[M+CH3COO]-	645.28175	256.9
[M+Na-2H]-	607.24257	235.1
[M]+	586.26735	245.2
[M]-	586.26845	245.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

587.27518

244.2

[M+Na]+

609.25712

245.9

[M-H]-

585.26062

255.4

[M+NH4]+

604.30172

242.8

[M+K]+

625.23106

241.9

[M+H-H2O]+

569.26516

230.7

[M+HCOO]-

631.26610

254.1

[M+CH3COO]-

645.28175

256.9

[M+Na-2H]-

607.24257

235.1

[M]+

586.26735

245.2

[M]-

586.26845

245.2

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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