PubChemLite - 510712-20-6 (C28H34N2O6)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)O)/O)OC(C)C

InChI

InChI=1S/C28H34N2O6/c1-18(2)36-23-10-7-21(17-19(23)3)26(32)24-25(20-5-8-22(31)9-6-20)30(28(34)27(24)33)12-4-11-29-13-15-35-16-14-29/h5-10,17-18,25,31-32H,4,11-16H2,1-3H3/b26-24+

InChIKey

ZBGPAEXSUIRZBX-SHHOIMCASA-N

Compound name

(4E)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(4-hydroxyphenyl)-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]+	495.24898	221.6
[M+Na]+	517.23092	223.9
[M-H]-	493.23442	228.9
[M+NH4]+	512.27552	224.1
[M+K]+	533.20486	219.9
[M+H-H2O]+	477.23896	210.9
[M+HCOO]-	539.23990	230.2
[M+CH3COO]-	553.25555	238.9
[M+Na-2H]-	515.21637	212.6
[M]+	494.24115	219.8
[M]-	494.24225	219.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

495.24898

221.6

[M+Na]+

517.23092

223.9

[M-H]-

493.23442

228.9

[M+NH4]+

512.27552

224.1

[M+K]+

533.20486

219.9

[M+H-H2O]+

477.23896

210.9

[M+HCOO]-

539.23990

230.2

[M+CH3COO]-

553.25555

238.9

[M+Na-2H]-

515.21637

212.6

[M]+

494.24115

219.8

[M]-

494.24225

219.8

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

510712-20-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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