PubChemLite - 618073-46-4 (C24H24FNO5)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3CCCO3)C4=CC=CC=C4F)/O

InChI

InChI=1S/C24H24FNO5/c1-2-30-16-11-9-15(10-12-16)22(27)20-21(18-7-3-4-8-19(18)25)26(24(29)23(20)28)14-17-6-5-13-31-17/h3-4,7-12,17,21,27H,2,5-6,13-14H2,1H3/b22-20+

InChIKey

IIFUZAZLVZWCRW-LSDHQDQOSA-N

Compound name

(4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-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]+	426.17113	200.5
[M+Na]+	448.15307	205.8
[M-H]-	424.15657	210.2
[M+NH4]+	443.19767	210.0
[M+K]+	464.12701	201.5
[M+H-H2O]+	408.16111	191.4
[M+HCOO]-	470.16205	215.5
[M+CH3COO]-	484.17770	223.9
[M+Na-2H]-	446.13852	193.2
[M]+	425.16330	198.8
[M]-	425.16440	198.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

426.17113

200.5

[M+Na]+

448.15307

205.8

[M-H]-

424.15657

210.2

[M+NH4]+

443.19767

210.0

[M+K]+

464.12701

201.5

[M+H-H2O]+

408.16111

191.4

[M+HCOO]-

470.16205

215.5

[M+CH3COO]-

484.17770

223.9

[M+Na-2H]-

446.13852

193.2

[M]+

425.16330

198.8

[M]-

425.16440

198.8

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

618073-46-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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