PubChemLite - (s)-n-[[3-(3-fluoro-4-morpholinylphenyl)-2-oxo-5-oxazolidinyl]methyl]-4-(4-(2-methylpropyl)phenyl)-4-oxobutanamide-n-oxide (C28H34FN3O6)

Structural Information

Molecular Formula

SMILES

CC(C)CC1=CC=C(C=C1)C(=O)CCC(=O)NC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)[N+]4(CCOCC4)[O-])F

InChI

InChI=1S/C28H34FN3O6/c1-19(2)15-20-3-5-21(6-4-20)26(33)9-10-27(34)30-17-23-18-31(28(35)38-23)22-7-8-25(24(29)16-22)32(36)11-13-37-14-12-32/h3-8,16,19,23H,9-15,17-18H2,1-2H3,(H,30,34)/t23-/m0/s1

InChIKey

QAEWPIBKFSBFRF-QHCPKHFHSA-N

Compound name

N-[[(5S)-3-[3-fluoro-4-(4-oxidomorpholin-4-ium-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide

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]+	528.25044	227.2
[M+Na]+	550.23238	227.1
[M-H]-	526.23588	234.2
[M+NH4]+	545.27698	228.4
[M+K]+	566.20632	219.6
[M+H-H2O]+	510.24042	219.7
[M+HCOO]-	572.24136	235.5
[M+CH3COO]-	586.25701	237.9
[M+Na-2H]-	548.21783	223.6
[M]+	527.24261	222.0
[M]-	527.24371	222.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

528.25044

227.2

[M+Na]+

550.23238

227.1

[M-H]-

526.23588

234.2

[M+NH4]+

545.27698

228.4

[M+K]+

566.20632

219.6

[M+H-H2O]+

510.24042

219.7

[M+HCOO]-

572.24136

235.5

[M+CH3COO]-

586.25701

237.9

[M+Na-2H]-

548.21783

223.6

[M]+

527.24261

222.0

[M]-

527.24371

222.0

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

(s)-n-[[3-(3-fluoro-4-morpholinylphenyl)-2-oxo-5-oxazolidinyl]methyl]-4-(4-(2-methylpropyl)phenyl)-4-oxobutanamide-n-oxide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe