PubChemLite - Schembl2836517 (C23H23FN2O5)

Structural Information

Molecular Formula

SMILES

CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C4(CNC(=O)O4)C

InChI

InChI=1S/C23H23FN2O5/c1-12(2)29-18-9-15-17(10-16(18)23(3)11-26-22(28)31-23)30-20(19(15)21(27)25-4)13-5-7-14(24)8-6-13/h5-10,12H,11H2,1-4H3,(H,25,27)(H,26,28)

InChIKey

QJGYMQJSUHAVIJ-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-N-methyl-6-(5-methyl-2-oxo-1,3-oxazolidin-5-yl)-5-propan-2-yloxy-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]+	427.16638	200.0
[M+Na]+	449.14832	208.7
[M-H]-	425.15182	209.7
[M+NH4]+	444.19292	211.7
[M+K]+	465.12226	206.3
[M+H-H2O]+	409.15636	192.5
[M+HCOO]-	471.15730	217.0
[M+CH3COO]-	485.17295	228.4
[M+Na-2H]-	447.13377	198.2
[M]+	426.15855	204.3
[M]-	426.15965	204.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

427.16638

200.0

[M+Na]+

449.14832

208.7

[M-H]-

425.15182

209.7

[M+NH4]+

444.19292

211.7

[M+K]+

465.12226

206.3

[M+H-H2O]+

409.15636

192.5

[M+HCOO]-

471.15730

217.0

[M+CH3COO]-

485.17295

228.4

[M+Na-2H]-

447.13377

198.2

[M]+

426.15855

204.3

[M]-

426.15965

204.3

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

Schembl2836517

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe