PubChemLite - 609793-43-3 (C24H18ClFN2O4)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)Cl)/O)F

InChI

InChI=1S/C24H18ClFN2O4/c1-32-19-9-6-16(11-18(19)26)22(29)20-21(15-4-7-17(25)8-5-15)28(24(31)23(20)30)13-14-3-2-10-27-12-14/h2-12,21,29H,13H2,1H3/b22-20+

InChIKey

SIWYRKOYDUOQMI-LSDHQDQOSA-N

Compound name

(4E)-5-(4-chlorophenyl)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(pyridin-3-ylmethyl)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]+	453.10118	206.0
[M+Na]+	475.08312	215.0
[M-H]-	451.08662	214.2
[M+NH4]+	470.12772	213.7
[M+K]+	491.05706	206.9
[M+H-H2O]+	435.09116	194.5
[M+HCOO]-	497.09210	217.6
[M+CH3COO]-	511.10775	228.2
[M+Na-2H]-	473.06857	201.1
[M]+	452.09335	207.3
[M]-	452.09445	207.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.10118

206.0

[M+Na]+

475.08312

215.0

[M-H]-

451.08662

214.2

[M+NH4]+

470.12772

213.7

[M+K]+

491.05706

206.9

[M+H-H2O]+

435.09116

194.5

[M+HCOO]-

497.09210

217.6

[M+CH3COO]-

511.10775

228.2

[M+Na-2H]-

473.06857

201.1

[M]+

452.09335

207.3

[M]-

452.09445

207.3

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

609793-43-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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