5-chloro-n-[[(5s)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (C19H20ClN3O6S)

Structural Information

Molecular Formula

SMILES

C1[C@@H](OC(=O)N1C2=CC=C(C=C2)N(CCO)C(=O)CO)CNC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C19H20ClN3O6S/c20-16-6-5-15(30-16)18(27)21-9-14-10-23(19(28)29-14)13-3-1-12(2-4-13)22(7-8-24)17(26)11-25/h1-6,14,24-25H,7-11H2,(H,21,27)/t14-/m0/s1

InChIKey

ZZABLIJBKARJCB-AWEZNQCLSA-N

Compound name

5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

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]+	454.083416	204.3
[M+Na]+	476.065358	208.8
[M-H]-	452.068864	212.9
[M+NH4]+	471.109963	213.8
[M+K]+	492.039298	206.0
[M+H-H2O]+	436.073400	197.9
[M+HCOO]-	498.074341	214.8
[M+CH3COO]-	512.089991	228.0
[M+Na-2H]-	474.050806	199.4
[M]+	453.07559142	210.1
[M]-	453.07668858	210.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

454.083416

204.3

[M+Na]+

476.065358

208.8

[M-H]-

452.068864

212.9

[M+NH4]+

471.109963

213.8

[M+K]+

492.039298

206.0

[M+H-H2O]+

436.073400

197.9

[M+HCOO]-

498.074341

214.8

[M+CH3COO]-

512.089991

228.0

[M+Na-2H]-

474.050806

199.4

[M]+

453.07559142

210.1

[M]-

453.07668858

210.1

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

5-chloro-n-[[(5s)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe