PubChemLite - 609793-50-2 (C24H19FN2O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H19FN2O4/c1-31-19-8-7-17(13-18(19)25)22(28)20-21(16-5-3-2-4-6-16)27(24(30)23(20)29)14-15-9-11-26-12-10-15/h2-13,21,28H,14H2,1H3/b22-20+

InChIKey

WOVSHPHGRSVQLW-LSDHQDQOSA-N

Compound name

(4E)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-phenyl-1-(pyridin-4-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]+	419.14015	199.4
[M+Na]+	441.12209	206.9
[M-H]-	417.12559	207.5
[M+NH4]+	436.16669	207.3
[M+K]+	457.09603	200.0
[M+H-H2O]+	401.13013	187.5
[M+HCOO]-	463.13107	215.7
[M+CH3COO]-	477.14672	223.5
[M+Na-2H]-	439.10754	195.7
[M]+	418.13232	197.9
[M]-	418.13342	197.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

419.14015

199.4

[M+Na]+

441.12209

206.9

[M-H]-

417.12559

207.5

[M+NH4]+

436.16669

207.3

[M+K]+

457.09603

200.0

[M+H-H2O]+

401.13013

187.5

[M+HCOO]-

463.13107

215.7

[M+CH3COO]-

477.14672

223.5

[M+Na-2H]-

439.10754

195.7

[M]+

418.13232

197.9

[M]-

418.13342

197.9

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

609793-50-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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