PubChemLite - Chemdiv1_024360 (C24H24F2N2O4)

Structural Information

Molecular Formula

SMILES

C1COCCN1CCCN2C(/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C2=O)C4=CC=CC=C4F

InChI

InChI=1S/C24H24F2N2O4/c25-17-8-6-16(7-9-17)22(29)20-21(18-4-1-2-5-19(18)26)28(24(31)23(20)30)11-3-10-27-12-14-32-15-13-27/h1-2,4-9,21,29H,3,10-15H2/b22-20+

InChIKey

QSIPKDXSRGZAMJ-LSDHQDQOSA-N

Compound name

(4E)-5-(2-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)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]+	443.17768	207.0
[M+Na]+	465.15962	211.9
[M-H]-	441.16312	213.1
[M+NH4]+	460.20422	212.3
[M+K]+	481.13356	205.8
[M+H-H2O]+	425.16766	194.3
[M+HCOO]-	487.16860	217.0
[M+CH3COO]-	501.18425	227.6
[M+Na-2H]-	463.14507	200.1
[M]+	442.16985	200.9
[M]-	442.17095	200.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.17768

207.0

[M+Na]+

465.15962

211.9

[M-H]-

441.16312

213.1

[M+NH4]+

460.20422

212.3

[M+K]+

481.13356

205.8

[M+H-H2O]+

425.16766

194.3

[M+HCOO]-

487.16860

217.0

[M+CH3COO]-

501.18425

227.6

[M+Na-2H]-

463.14507

200.1

[M]+

442.16985

200.9

[M]-

442.17095

200.9

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

Chemdiv1_024360

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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