PubChemLite - Chembl53217 (C26H30FN3O6)

Structural Information

Molecular Formula

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)OC3CCN(CC3)C(=O)COCC4=CC=CC=C4)F

InChI

InChI=1S/C26H30FN3O6/c1-18(31)28-14-22-15-30(26(33)36-22)20-7-8-24(23(27)13-20)35-21-9-11-29(12-10-21)25(32)17-34-16-19-5-3-2-4-6-19/h2-8,13,21-22H,9-12,14-17H2,1H3,(H,28,31)/t22-/m0/s1

InChIKey

RMAQAEJAXNATAG-QFIPXVFZSA-N

Compound name

N-[[(5S)-3-[3-fluoro-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

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]+	500.21913	218.6
[M+Na]+	522.20107	220.1
[M-H]-	498.20457	226.7
[M+NH4]+	517.24567	221.3
[M+K]+	538.17501	217.3
[M+H-H2O]+	482.20911	205.7
[M+HCOO]-	544.21005	230.9
[M+CH3COO]-	558.22570	241.7
[M+Na-2H]-	520.18652	212.9
[M]+	499.21130	217.0
[M]-	499.21240	217.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

500.21913

218.6

[M+Na]+

522.20107

220.1

[M-H]-

498.20457

226.7

[M+NH4]+

517.24567

221.3

[M+K]+

538.17501

217.3

[M+H-H2O]+

482.20911

205.7

[M+HCOO]-

544.21005

230.9

[M+CH3COO]-

558.22570

241.7

[M+Na-2H]-

520.18652

212.9

[M]+

499.21130

217.0

[M]-

499.21240

217.0

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

Chembl53217

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe