PubChemLite - Schembl2835803 (C24H23FN2O5)

Structural Information

Molecular Formula

SMILES

CC(C)OCC1=CC(=NO1)C2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C24H23FN2O5/c1-13(2)30-12-16-9-19(27-32-16)17-10-21-18(11-20(17)29-4)22(24(28)26-3)23(31-21)14-5-7-15(25)8-6-14/h5-11,13H,12H2,1-4H3,(H,26,28)

InChIKey

BQOLVDZSTRUBHT-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-5-methoxy-N-methyl-6-[5-(propan-2-yloxymethyl)-1,2-oxazol-3-yl]-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	206.0
[M+Na]+	461.14832	215.0
[M-H]-	437.15182	217.2
[M+NH4]+	456.19292	215.9
[M+K]+	477.12226	213.4
[M+H-H2O]+	421.15636	197.1
[M+HCOO]-	483.15730	226.6
[M+CH3COO]-	497.17295	233.6
[M+Na-2H]-	459.13377	204.1
[M]+	438.15855	215.2
[M]-	438.15965	215.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.16638

206.0

[M+Na]+

461.14832

215.0

[M-H]-

437.15182

217.2

[M+NH4]+

456.19292

215.9

[M+K]+

477.12226

213.4

[M+H-H2O]+

421.15636

197.1

[M+HCOO]-

483.15730

226.6

[M+CH3COO]-

497.17295

233.6

[M+Na-2H]-

459.13377

204.1

[M]+

438.15855

215.2

[M]-

438.15965

215.2

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

Schembl2835803

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe