PubChemLite - Schembl2836607 (C24H23FN2O5)

Structural Information

Molecular Formula

SMILES

CCOC1=C(C=CC(=C1)F)C2=C(C3=CC(=C(C=C3O2)C4=C(ON=C4C)C)OC)C(=O)NC

InChI

InChI=1S/C24H23FN2O5/c1-6-30-19-9-14(25)7-8-15(19)23-22(24(28)26-4)17-10-18(29-5)16(11-20(17)31-23)21-12(2)27-32-13(21)3/h7-11H,6H2,1-5H3,(H,26,28)

InChIKey

PMAZPWKVJULLGB-UHFFFAOYSA-N

Compound name

6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-ethoxy-4-fluorophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide

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]+	439.16638	206.8
[M+Na]+	461.14832	218.0
[M-H]-	437.15182	218.8
[M+NH4]+	456.19292	217.4
[M+K]+	477.12226	215.8
[M+H-H2O]+	421.15636	198.3
[M+HCOO]-	483.15730	228.4
[M+CH3COO]-	497.17295	235.4
[M+Na-2H]-	459.13377	204.7
[M]+	438.15855	217.5
[M]-	438.15965	217.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.16638

206.8

[M+Na]+

461.14832

218.0

[M-H]-

437.15182

218.8

[M+NH4]+

456.19292

217.4

[M+K]+

477.12226

215.8

[M+H-H2O]+

421.15636

198.3

[M+HCOO]-

483.15730

228.4

[M+CH3COO]-

497.17295

235.4

[M+Na-2H]-

459.13377

204.7

[M]+

438.15855

217.5

[M]-

438.15965

217.5

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

Schembl2836607

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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