PubChemLite - 609793-54-6 (C24H18F2N2O4)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)F)/O)F

InChI

InChI=1S/C24H18F2N2O4/c1-32-19-9-6-16(11-18(19)26)22(29)20-21(15-4-7-17(25)8-5-15)28(24(31)23(20)30)13-14-3-2-10-27-12-14/h2-12,21,29H,13H2,1H3/b22-20+

InChIKey

WHMYWCDNWSTBTE-LSDHQDQOSA-N

Compound name

(4E)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(pyridin-3-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]+	437.13075	202.9
[M+Na]+	459.11269	211.2
[M-H]-	435.11619	209.9
[M+NH4]+	454.15729	210.2
[M+K]+	475.08663	203.9
[M+H-H2O]+	419.12073	190.2
[M+HCOO]-	481.12167	218.0
[M+CH3COO]-	495.13732	227.4
[M+Na-2H]-	457.09814	197.8
[M]+	436.12292	200.8
[M]-	436.12402	200.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.13075

202.9

[M+Na]+

459.11269

211.2

[M-H]-

435.11619

209.9

[M+NH4]+

454.15729

210.2

[M+K]+

475.08663

203.9

[M+H-H2O]+

419.12073

190.2

[M+HCOO]-

481.12167

218.0

[M+CH3COO]-

495.13732

227.4

[M+Na-2H]-

457.09814

197.8

[M]+

436.12292

200.8

[M]-

436.12402

200.8

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

609793-54-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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