PubChemLite - 618075-13-1 (C24H21F2N3O4)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CC=C4F)/O)F

InChI

InChI=1S/C24H21F2N3O4/c1-33-19-8-7-15(13-18(19)26)22(30)20-21(16-5-2-3-6-17(16)25)29(24(32)23(20)31)11-4-10-28-12-9-27-14-28/h2-3,5-9,12-14,21,30H,4,10-11H2,1H3/b22-20+

InChIKey

PCAPHSCRVMQVAR-LSDHQDQOSA-N

Compound name

(4E)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(3-imidazol-1-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]+	454.15730	206.0
[M+Na]+	476.13924	213.9
[M-H]-	452.14274	212.3
[M+NH4]+	471.18384	213.2
[M+K]+	492.11318	206.9
[M+H-H2O]+	436.14728	193.9
[M+HCOO]-	498.14822	220.8
[M+CH3COO]-	512.16387	229.8
[M+Na-2H]-	474.12469	198.3
[M]+	453.14947	205.4
[M]-	453.15057	205.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

454.15730

206.0

[M+Na]+

476.13924

213.9

[M-H]-

452.14274

212.3

[M+NH4]+

471.18384

213.2

[M+K]+

492.11318

206.9

[M+H-H2O]+

436.14728

193.9

[M+HCOO]-

498.14822

220.8

[M+CH3COO]-

512.16387

229.8

[M+Na-2H]-

474.12469

198.3

[M]+

453.14947

205.4

[M]-

453.15057

205.4

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

618075-13-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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