PubChemLite - Radezolid (C22H23FN6O3)

Structural Information

Molecular Formula

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CC=C(C=C3)CNCC4=NNN=C4)F

InChI

InChI=1S/C22H23FN6O3/c1-14(30)25-12-19-13-29(22(31)32-19)18-6-7-20(21(23)8-18)16-4-2-15(3-5-16)9-24-10-17-11-26-28-27-17/h2-8,11,19,24H,9-10,12-13H2,1H3,(H,25,30)(H,26,27,28)/t19-/m0/s1

InChIKey

BTTNOGHPGJANSW-IBGZPJMESA-N

Compound name

N-[[(5S)-3-[3-fluoro-4-[4-[(2H-triazol-4-ylmethylamino)methyl]phenyl]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]+	439.18886	201.7
[M+Na]+	461.17080	207.1
[M-H]-	437.17430	208.4
[M+NH4]+	456.21540	206.0
[M+K]+	477.14474	201.4
[M+H-H2O]+	421.17884	189.3
[M+HCOO]-	483.17978	217.9
[M+CH3COO]-	497.19543	208.8
[M+Na-2H]-	459.15625	199.1
[M]+	438.18103	200.0
[M]-	438.18213	200.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.18886

201.7

[M+Na]+

461.17080

207.1

[M-H]-

437.17430

208.4

[M+NH4]+

456.21540

206.0

[M+K]+

477.14474

201.4

[M+H-H2O]+

421.17884

189.3

[M+HCOO]-

483.17978

217.9

[M+CH3COO]-

497.19543

208.8

[M+Na-2H]-

459.15625

199.1

[M]+

438.18103

200.0

[M]-

438.18213

200.0

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

Radezolid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe