PubChemLite - 489463-71-0 (C23H22FNO5)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3CCCO3)C4=CC=CC=C4F)/O

InChI

InChI=1S/C23H22FNO5/c1-29-15-10-8-14(9-11-15)21(26)19-20(17-6-2-3-7-18(17)24)25(23(28)22(19)27)13-16-5-4-12-30-16/h2-3,6-11,16,20,26H,4-5,12-13H2,1H3/b21-19+

InChIKey

IAVZGHGDOCTSOX-XUTLUUPISA-N

Compound name

(4E)-5-(2-fluorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(oxolan-2-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]+	412.15548	196.0
[M+Na]+	434.13742	201.9
[M-H]-	410.14092	205.9
[M+NH4]+	429.18202	206.2
[M+K]+	450.11136	197.7
[M+H-H2O]+	394.14546	187.1
[M+HCOO]-	456.14640	211.5
[M+CH3COO]-	470.16205	221.0
[M+Na-2H]-	432.12287	189.3
[M]+	411.14765	194.0
[M]-	411.14875	194.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

412.15548

196.0

[M+Na]+

434.13742

201.9

[M-H]-

410.14092

205.9

[M+NH4]+

429.18202

206.2

[M+K]+

450.11136

197.7

[M+H-H2O]+

394.14546

187.1

[M+HCOO]-

456.14640

211.5

[M+CH3COO]-

470.16205

221.0

[M+Na-2H]-

432.12287

189.3

[M]+

411.14765

194.0

[M]-

411.14875

194.0

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

489463-71-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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