PubChemLite - Eperezolid (C18H23FN4O5)

Structural Information

Molecular Formula

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CO)F

InChI

InChI=1S/C18H23FN4O5/c1-12(25)20-9-14-10-23(18(27)28-14)13-2-3-16(15(19)8-13)21-4-6-22(7-5-21)17(26)11-24/h2-3,8,14,24H,4-7,9-11H2,1H3,(H,20,25)/t14-/m0/s1

InChIKey

SIMWTRCFFSTNMG-AWEZNQCLSA-N

Compound name

N-[[(5S)-3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-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]+	395.17253	192.8
[M+Na]+	417.15447	196.8
[M-H]-	393.15797	196.1
[M+NH4]+	412.19907	198.8
[M+K]+	433.12841	194.0
[M+H-H2O]+	377.16251	181.9
[M+HCOO]-	439.16345	203.7
[M+CH3COO]-	453.17910	220.5
[M+Na-2H]-	415.13992	188.2
[M]+	394.16470	188.6
[M]-	394.16580	188.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

395.17253

192.8

[M+Na]+

417.15447

196.8

[M-H]-

393.15797

196.1

[M+NH4]+

412.19907

198.8

[M+K]+

433.12841

194.0

[M+H-H2O]+

377.16251

181.9

[M+HCOO]-

439.16345

203.7

[M+CH3COO]-

453.17910

220.5

[M+Na-2H]-

415.13992

188.2

[M]+

394.16470

188.6

[M]-

394.16580

188.6

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

Eperezolid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe