PubChemLite - 488811-70-7 (C31H31FN2O5)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC=C(C=C5)F)/O

InChI

InChI=1S/C31H31FN2O5/c1-21-19-25(39-20-22-5-3-2-4-6-22)11-12-26(21)29(35)27-28(23-7-9-24(32)10-8-23)34(31(37)30(27)36)14-13-33-15-17-38-18-16-33/h2-12,19,28,35H,13-18,20H2,1H3/b29-27+

InChIKey

RZUASUGGNPKFOL-ORIPQNMZSA-N

Compound name

(4E)-5-(4-fluorophenyl)-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]+	531.22898	231.1
[M+Na]+	553.21092	234.2
[M-H]-	529.21442	241.1
[M+NH4]+	548.25552	232.0
[M+K]+	569.18486	228.1
[M+H-H2O]+	513.21896	217.2
[M+HCOO]-	575.21990	240.8
[M+CH3COO]-	589.23555	235.8
[M+Na-2H]-	551.19637	222.7
[M]+	530.22115	227.2
[M]-	530.22225	227.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

531.22898

231.1

[M+Na]+

553.21092

234.2

[M-H]-

529.21442

241.1

[M+NH4]+

548.25552

232.0

[M+K]+

569.18486

228.1

[M+H-H2O]+

513.21896

217.2

[M+HCOO]-

575.21990

240.8

[M+CH3COO]-

589.23555

235.8

[M+Na-2H]-

551.19637

222.7

[M]+

530.22115

227.2

[M]-

530.22225

227.2

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

488811-70-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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