PubChemLite - 618073-09-9 (C30H37FN2O7)

Structural Information

Molecular Formula

SMILES

CCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)OC)F)\O)/C(=O)C(=O)N2CCCN4CCOCC4)OC

InChI

InChI=1S/C30H37FN2O7/c1-4-5-15-40-24-10-7-20(19-25(24)38-3)27-26(28(34)21-8-9-23(37-2)22(31)18-21)29(35)30(36)33(27)12-6-11-32-13-16-39-17-14-32/h7-10,18-19,27,34H,4-6,11-17H2,1-3H3/b28-26+

InChIKey

XYQUAZUDNFZROA-BYCLXTJYSA-N

Compound name

(4E)-5-(4-butoxy-3-methoxyphenyl)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)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]+	557.26578	236.4
[M+Na]+	579.24772	239.0
[M-H]-	555.25122	243.4
[M+NH4]+	574.29232	237.0
[M+K]+	595.22166	235.2
[M+H-H2O]+	539.25576	223.7
[M+HCOO]-	601.25670	245.6
[M+CH3COO]-	615.27235	251.8
[M+Na-2H]-	577.23317	226.7
[M]+	556.25795	238.2
[M]-	556.25905	238.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

557.26578

236.4

[M+Na]+

579.24772

239.0

[M-H]-

555.25122

243.4

[M+NH4]+

574.29232

237.0

[M+K]+

595.22166

235.2

[M+H-H2O]+

539.25576

223.7

[M+HCOO]-

601.25670

245.6

[M+CH3COO]-

615.27235

251.8

[M+Na-2H]-

577.23317

226.7

[M]+

556.25795

238.2

[M]-

556.25905

238.2

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

618073-09-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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