PubChemLite - 618073-82-8 (C24H19FN2O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=CC=C4)O)/O)F

InChI

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

InChIKey

HGILAASGPACMJU-LSDHQDQOSA-N

Compound name

(4E)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)-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]+	419.14015	199.7
[M+Na]+	441.12209	207.6
[M-H]-	417.12559	206.9
[M+NH4]+	436.16669	207.2
[M+K]+	457.09603	200.1
[M+H-H2O]+	401.13013	188.5
[M+HCOO]-	463.13107	214.5
[M+CH3COO]-	477.14672	222.7
[M+Na-2H]-	439.10754	195.0
[M]+	418.13232	197.0
[M]-	418.13342	197.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

419.14015

199.7

[M+Na]+

441.12209

207.6

[M-H]-

417.12559

206.9

[M+NH4]+

436.16669

207.2

[M+K]+

457.09603

200.1

[M+H-H2O]+

401.13013

188.5

[M+HCOO]-

463.13107

214.5

[M+CH3COO]-

477.14672

222.7

[M+Na-2H]-

439.10754

195.0

[M]+

418.13232

197.0

[M]-

418.13342

197.0

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

618073-82-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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