PubChemLite - 488132-09-8 (C30H33N3O4)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCN1C(/C(=C(/C2=C(C=C(C=C2)OCC3=CC=CC=C3)C)\O)/C(=O)C1=O)C4=CC=NC=C4

InChI

InChI=1S/C30H33N3O4/c1-4-32(5-2)17-18-33-27(23-13-15-31-16-14-23)26(29(35)30(33)36)28(34)25-12-11-24(19-21(25)3)37-20-22-9-7-6-8-10-22/h6-16,19,27,34H,4-5,17-18,20H2,1-3H3/b28-26+

InChIKey

SGKYXHYYXDBTJK-BYCLXTJYSA-N

Compound name

(4E)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-pyridin-4-ylpyrrolidine-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]+	500.25438	224.7
[M+Na]+	522.23632	228.3
[M-H]-	498.23982	234.3
[M+NH4]+	517.28092	229.3
[M+K]+	538.21026	222.4
[M+H-H2O]+	482.24436	212.2
[M+HCOO]-	544.24530	241.4
[M+CH3COO]-	558.26095	246.4
[M+Na-2H]-	520.22177	218.8
[M]+	499.24655	226.5
[M]-	499.24765	226.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

500.25438

224.7

[M+Na]+

522.23632

228.3

[M-H]-

498.23982

234.3

[M+NH4]+

517.28092

229.3

[M+K]+

538.21026

222.4

[M+H-H2O]+

482.24436

212.2

[M+HCOO]-

544.24530

241.4

[M+CH3COO]-

558.26095

246.4

[M+Na-2H]-

520.22177

218.8

[M]+

499.24655

226.5

[M]-

499.24765

226.5

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

488132-09-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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