PubChemLite - Cyclopropanecarboxylic acid, {(s)-3-[4-(1,1-dioxo-hexahydro-thiopyran-4-yl)-3-fluoro-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-amide- (C19H23FN2O5S)

Structural Information

Molecular Formula

SMILES

C1CC1C(=O)NC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)C4CCS(=O)(=O)CC4)F

InChI

InChI=1S/C19H23FN2O5S/c20-17-9-14(3-4-16(17)12-5-7-28(25,26)8-6-12)22-11-15(27-19(22)24)10-21-18(23)13-1-2-13/h3-4,9,12-13,15H,1-2,5-8,10-11H2,(H,21,23)/t15-/m0/s1

InChIKey

IDRSOROVPQPWGT-HNNXBMFYSA-N

Compound name

N-[[(5S)-3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide

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]+	411.13844	186.7
[M+Na]+	433.12038	193.7
[M-H]-	409.12388	197.1
[M+NH4]+	428.16498	193.6
[M+K]+	449.09432	190.2
[M+H-H2O]+	393.12842	179.4
[M+HCOO]-	455.12936	198.0
[M+CH3COO]-	469.14501	222.4
[M+Na-2H]-	431.10583	184.1
[M]+	410.13061	188.2
[M]-	410.13171	188.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.13844

186.7

[M+Na]+

433.12038

193.7

[M-H]-

409.12388

197.1

[M+NH4]+

428.16498

193.6

[M+K]+

449.09432

190.2

[M+H-H2O]+

393.12842

179.4

[M+HCOO]-

455.12936

198.0

[M+CH3COO]-

469.14501

222.4

[M+Na-2H]-

431.10583

184.1

[M]+

410.13061

188.2

[M]-

410.13171

188.2

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

Cyclopropanecarboxylic acid, {(s)-3-[4-(1,1-dioxo-hexahydro-thiopyran-4-yl)-3-fluoro-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-amide-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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