PubChemLite - 618074-35-4 (C24H24FNO5)

Structural Information

Molecular Formula

SMILES

COCCCN1C(/C(=C(/C2=CC=C(C=C2)OCC=C)\O)/C(=O)C1=O)C3=CC=CC=C3F

InChI

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

InChIKey

NHIBUTQFQSUOFV-LSDHQDQOSA-N

Compound name

(4E)-5-(2-fluorophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-methoxypropyl)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	200.9
[M+Na]+	448.15307	207.4
[M-H]-	424.15657	206.7
[M+NH4]+	443.19767	210.4
[M+K]+	464.12701	201.3
[M+H-H2O]+	408.16111	190.8
[M+HCOO]-	470.16205	217.8
[M+CH3COO]-	484.17770	226.0
[M+Na-2H]-	446.13852	195.5
[M]+	425.16330	202.4
[M]-	425.16440	202.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

426.17113

200.9

[M+Na]+

448.15307

207.4

[M-H]-

424.15657

206.7

[M+NH4]+

443.19767

210.4

[M+K]+

464.12701

201.3

[M+H-H2O]+

408.16111

190.8

[M+HCOO]-

470.16205

217.8

[M+CH3COO]-

484.17770

226.0

[M+Na-2H]-

446.13852

195.5

[M]+

425.16330

202.4

[M]-

425.16440

202.4

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

618074-35-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe