PubChemLite - 381199-47-9 (C24H27N3O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H27N3O4/c1-17-3-5-19(6-4-17)22(28)20-21(18-7-9-25-10-8-18)27(24(30)23(20)29)12-2-11-26-13-15-31-16-14-26/h3-10,21,28H,2,11-16H2,1H3/b22-20+

InChIKey

ORQQXLHBKBOREY-LSDHQDQOSA-N

Compound name

(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-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]+	422.20744	204.2
[M+Na]+	444.18938	207.9
[M-H]-	420.19288	211.3
[M+NH4]+	439.23398	208.8
[M+K]+	460.16332	202.6
[M+H-H2O]+	404.19742	192.3
[M+HCOO]-	466.19836	215.0
[M+CH3COO]-	480.21401	223.8
[M+Na-2H]-	442.17483	199.1
[M]+	421.19961	200.1
[M]-	421.20071	200.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

422.20744

204.2

[M+Na]+

444.18938

207.9

[M-H]-

420.19288

211.3

[M+NH4]+

439.23398

208.8

[M+K]+

460.16332

202.6

[M+H-H2O]+

404.19742

192.3

[M+HCOO]-

466.19836

215.0

[M+CH3COO]-

480.21401

223.8

[M+Na-2H]-

442.17483

199.1

[M]+

421.19961

200.1

[M]-

421.20071

200.1

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

381199-47-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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