PubChemLite - 4-(4-butoxybenzoyl)-3-hydroxy-5-[4-(isopentyloxy)-3-methoxyphenyl]-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2h-pyrrol-2-one (C32H41NO7)

Structural Information

Molecular Formula

SMILES

CCCCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3CCCO3)C4=CC(=C(C=C4)OCCC(C)C)OC)/O

InChI

InChI=1S/C32H41NO7/c1-5-6-16-38-24-12-9-22(10-13-24)30(34)28-29(33(32(36)31(28)35)20-25-8-7-17-39-25)23-11-14-26(27(19-23)37-4)40-18-15-21(2)3/h9-14,19,21,25,29,34H,5-8,15-18,20H2,1-4H3/b30-28-

InChIKey

RRTQLQBUUDPJBY-HYOGKJQXSA-N

Compound name

(4Z)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-(oxolan-2-ylmethyl)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]+	552.29558	235.9
[M+Na]+	574.27752	237.2
[M-H]-	550.28102	245.8
[M+NH4]+	569.32212	240.0
[M+K]+	590.25146	234.3
[M+H-H2O]+	534.28556	226.7
[M+HCOO]-	596.28650	248.4
[M+CH3COO]-	610.30215	250.9
[M+Na-2H]-	572.26297	224.3
[M]+	551.28775	240.3
[M]-	551.28885	240.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

552.29558

235.9

[M+Na]+

574.27752

237.2

[M-H]-

550.28102

245.8

[M+NH4]+

569.32212

240.0

[M+K]+

590.25146

234.3

[M+H-H2O]+

534.28556

226.7

[M+HCOO]-

596.28650

248.4

[M+CH3COO]-

610.30215

250.9

[M+Na-2H]-

572.26297

224.3

[M]+

551.28775

240.3

[M]-

551.28885

240.3

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

4-(4-butoxybenzoyl)-3-hydroxy-5-[4-(isopentyloxy)-3-methoxyphenyl]-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe