PubChemLite - 431919-73-2 (C26H29FN2O5)

Structural Information

Molecular Formula

SMILES

CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=C(C=C4)F)O)C

InChI

InChI=1S/C26H29FN2O5/c1-3-34-21-9-6-19(16-17(21)2)24(30)22-23(18-4-7-20(27)8-5-18)29(26(32)25(22)31)11-10-28-12-14-33-15-13-28/h4-9,16,23,30H,3,10-15H2,1-2H3

InChIKey

OFABLQDUJZNIMN-UHFFFAOYSA-N

Compound name

4-[(4-ethoxy-3-methylphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)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]+	469.21333	215.0
[M+Na]+	491.19527	219.5
[M-H]-	467.19877	222.5
[M+NH4]+	486.23987	219.5
[M+K]+	507.16921	214.5
[M+H-H2O]+	451.20331	203.2
[M+HCOO]-	513.20425	225.5
[M+CH3COO]-	527.21990	234.4
[M+Na-2H]-	489.18072	207.4
[M]+	468.20550	212.4
[M]-	468.20660	212.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.21333

215.0

[M+Na]+

491.19527

219.5

[M-H]-

467.19877

222.5

[M+NH4]+

486.23987

219.5

[M+K]+

507.16921

214.5

[M+H-H2O]+

451.20331

203.2

[M+HCOO]-

513.20425

225.5

[M+CH3COO]-

527.21990

234.4

[M+Na-2H]-

489.18072

207.4

[M]+

468.20550

212.4

[M]-

468.20660

212.4

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

431919-73-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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