PubChemLite - Tedizolid phosphate (C17H16FN6O6P)

Structural Information

Molecular Formula

SMILES

CN1N=C(N=N1)C2=NC=C(C=C2)C3=C(C=C(C=C3)N4C[C@@H](OC4=O)COP(=O)(O)O)F

InChI

InChI=1S/C17H16FN6O6P/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(30-17(24)25)9-29-31(26,27)28/h2-7,12H,8-9H2,1H3,(H2,26,27,28)/t12-/m1/s1

InChIKey

QCGUSIANLFXSGE-GFCCVEGCSA-N

Compound name

[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)pyridin-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate

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]+	451.09258	198.9
[M+Na]+	473.07452	206.1
[M-H]-	449.07802	201.7
[M+NH4]+	468.11912	200.0
[M+K]+	489.04846	203.3
[M+H-H2O]+	433.08256	184.8
[M+HCOO]-	495.08350	214.2
[M+CH3COO]-	509.09915	224.8
[M+Na-2H]-	471.05997	194.0
[M]+	450.08475	199.8
[M]-	450.08585	199.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

451.09258

198.9

[M+Na]+

473.07452

206.1

[M-H]-

449.07802

201.7

[M+NH4]+

468.11912

200.0

[M+K]+

489.04846

203.3

[M+H-H2O]+

433.08256

184.8

[M+HCOO]-

495.08350

214.2

[M+CH3COO]-

509.09915

224.8

[M+Na-2H]-

471.05997

194.0

[M]+

450.08475

199.8

[M]-

450.08585

199.8

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

Tedizolid phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe