PubChemLite - Vrc3864 (C18H23FN2O5S2)

Structural Information

Molecular Formula

SMILES

CSCC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3CCS(=O)(=O)CC3)F

InChI

InChI=1S/C18H23FN2O5S2/c1-27-11-17(22)20-9-14-10-21(18(23)26-14)13-2-3-15(16(19)8-13)12-4-6-28(24,25)7-5-12/h2-3,8,12,14H,4-7,9-11H2,1H3,(H,20,22)/t14-/m0/s1

InChIKey

TYMSHYKZQXCAMV-AWEZNQCLSA-N

Compound name

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

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]+	431.11052	194.1
[M+Na]+	453.09246	199.8
[M-H]-	429.09596	200.4
[M+NH4]+	448.13706	205.1
[M+K]+	469.06640	195.5
[M+H-H2O]+	413.10050	186.8
[M+HCOO]-	475.10144	200.4
[M+CH3COO]-	489.11709	223.1
[M+Na-2H]-	451.07791	190.9
[M]+	430.10269	194.8
[M]-	430.10379	194.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

431.11052

194.1

[M+Na]+

453.09246

199.8

[M-H]-

429.09596

200.4

[M+NH4]+

448.13706

205.1

[M+K]+

469.06640

195.5

[M+H-H2O]+

413.10050

186.8

[M+HCOO]-

475.10144

200.4

[M+CH3COO]-

489.11709

223.1

[M+Na-2H]-

451.07791

190.9

[M]+

430.10269

194.8

[M]-

430.10379

194.8

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

Vrc3864

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe