PubChemLite - 378213-64-0 (C23H25FN2O5)

Structural Information

Molecular Formula

SMILES

CN(C)CCN1C(/C(=C(/C2=CC=C(C=C2)F)\O)/C(=O)C1=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H25FN2O5/c1-25(2)11-12-26-20(15-7-10-17(30-3)18(13-15)31-4)19(22(28)23(26)29)21(27)14-5-8-16(24)9-6-14/h5-10,13,20,27H,11-12H2,1-4H3/b21-19+

InChIKey

NFXUQNFKGKWLBG-XUTLUUPISA-N

Compound name

(4E)-5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-[(4-fluorophenyl)-hydroxymethylidene]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]+	429.18202	200.7
[M+Na]+	451.16396	207.3
[M-H]-	427.16746	208.4
[M+NH4]+	446.20856	210.7
[M+K]+	467.13790	203.6
[M+H-H2O]+	411.17200	190.6
[M+HCOO]-	473.17294	219.2
[M+CH3COO]-	487.18859	233.6
[M+Na-2H]-	449.14941	195.1
[M]+	428.17419	203.5
[M]-	428.17529	203.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

429.18202

200.7

[M+Na]+

451.16396

207.3

[M-H]-

427.16746

208.4

[M+NH4]+

446.20856

210.7

[M+K]+

467.13790

203.6

[M+H-H2O]+

411.17200

190.6

[M+HCOO]-

473.17294

219.2

[M+CH3COO]-

487.18859

233.6

[M+Na-2H]-

449.14941

195.1

[M]+

428.17419

203.5

[M]-

428.17529

203.5

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

378213-64-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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