PubChemLite - Ranbezolid hydrochloride (C21H24FN5O6)

Structural Information

Molecular Formula

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=C(O4)[N+](=O)[O-])F

InChI

InChI=1S/C21H24FN5O6/c1-14(28)23-11-17-13-26(21(29)33-17)15-2-4-19(18(22)10-15)25-8-6-24(7-9-25)12-16-3-5-20(32-16)27(30)31/h2-5,10,17H,6-9,11-13H2,1H3,(H,23,28)/t17-/m0/s1

InChIKey

PWHNTOQANLCTHN-KRWDZBQOSA-N

Compound name

N-[[(5S)-3-[3-fluoro-4-[4-[(5-nitrofuran-2-yl)methyl]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]+	462.17833	207.2
[M+Na]+	484.16027	209.3
[M-H]-	460.16377	216.2
[M+NH4]+	479.20487	210.1
[M+K]+	500.13421	203.3
[M+H-H2O]+	444.16831	200.4
[M+HCOO]-	506.16925	221.0
[M+CH3COO]-	520.18490	228.7
[M+Na-2H]-	482.14572	205.2
[M]+	461.17050	203.2
[M]-	461.17160	203.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

462.17833

207.2

[M+Na]+

484.16027

209.3

[M-H]-

460.16377

216.2

[M+NH4]+

479.20487

210.1

[M+K]+

500.13421

203.3

[M+H-H2O]+

444.16831

200.4

[M+HCOO]-

506.16925

221.0

[M+CH3COO]-

520.18490

228.7

[M+Na-2H]-

482.14572

205.2

[M]+

461.17050

203.2

[M]-

461.17160

203.2

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

Ranbezolid hydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe