PubChemLite - 618073-02-2 (C24H26FN3O5)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=NC=C4)/O)F

InChI

InChI=1S/C24H26FN3O5/c1-32-19-4-3-17(15-18(19)25)22(29)20-21(16-5-7-26-8-6-16)28(24(31)23(20)30)10-2-9-27-11-13-33-14-12-27/h3-8,15,21,29H,2,9-14H2,1H3/b22-20+

InChIKey

SPXLWGASFIHMFE-LSDHQDQOSA-N

Compound name

(4E)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-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]+	456.19292	210.2
[M+Na]+	478.17486	214.6
[M-H]-	454.17836	216.3
[M+NH4]+	473.21946	213.5
[M+K]+	494.14880	209.5
[M+H-H2O]+	438.18290	197.4
[M+HCOO]-	500.18384	220.0
[M+CH3COO]-	514.19949	230.0
[M+Na-2H]-	476.16031	204.0
[M]+	455.18509	206.9
[M]-	455.18619	206.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

456.19292

210.2

[M+Na]+

478.17486

214.6

[M-H]-

454.17836

216.3

[M+NH4]+

473.21946

213.5

[M+K]+

494.14880

209.5

[M+H-H2O]+

438.18290

197.4

[M+HCOO]-

500.18384

220.0

[M+CH3COO]-

514.19949

230.0

[M+Na-2H]-

476.16031

204.0

[M]+

455.18509

206.9

[M]-

455.18619

206.9

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

618073-02-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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