PubChemLite - Vrc3059 (C19H18ClFN4O4S)

Structural Information

Molecular Formula

SMILES

CSCC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C(=O)NC3=CN=C(C=C3)Cl)F

InChI

InChI=1S/C19H18ClFN4O4S/c1-30-10-17(26)23-8-13-9-25(19(28)29-13)12-3-4-14(15(21)6-12)18(27)24-11-2-5-16(20)22-7-11/h2-7,13H,8-10H2,1H3,(H,23,26)(H,24,27)/t13-/m0/s1

InChIKey

QONIJFYSQYYFLH-ZDUSSCGKSA-N

Compound name

N-(6-chloropyridin-3-yl)-2-fluoro-4-[(5S)-5-[[(2-methylsulfanylacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide

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]+	453.07942	203.6
[M+Na]+	475.06136	210.6
[M-H]-	451.06486	210.6
[M+NH4]+	470.10596	211.0
[M+K]+	491.03530	205.3
[M+H-H2O]+	435.06940	194.1
[M+HCOO]-	497.07034	212.9
[M+CH3COO]-	511.08599	231.4
[M+Na-2H]-	473.04681	200.2
[M]+	452.07159	207.8
[M]-	452.07269	207.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.07942

203.6

[M+Na]+

475.06136

210.6

[M-H]-

451.06486

210.6

[M+NH4]+

470.10596

211.0

[M+K]+

491.03530

205.3

[M+H-H2O]+

435.06940

194.1

[M+HCOO]-

497.07034

212.9

[M+CH3COO]-

511.08599

231.4

[M+Na-2H]-

473.04681

200.2

[M]+

452.07159

207.8

[M]-

452.07269

207.8

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

Vrc3059

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe