PubChemLite - Benzamide, n-(6-chloro-3-pyridinyl)-2-fluoro-4-[(5s)-2-oxo-5-[[(1-thioxoethyl)amino]methyl]-3-oxazolidinyl]- (C18H16ClFN4O3S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C18H16ClFN4O3S/c1-10(28)21-8-13-9-24(18(26)27-13)12-3-4-14(15(20)6-12)17(25)23-11-2-5-16(19)22-7-11/h2-7,13H,8-9H2,1H3,(H,21,28)(H,23,25)/t13-/m0/s1

InChIKey

RBBYERRCIVJVDR-ZDUSSCGKSA-N

Compound name

N-(6-chloropyridin-3-yl)-4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide

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]+	423.06883	197.3
[M+Na]+	445.05077	205.2
[M-H]-	421.05427	204.5
[M+NH4]+	440.09537	206.1
[M+K]+	461.02471	199.3
[M+H-H2O]+	405.05881	188.1
[M+HCOO]-	467.05975	206.8
[M+CH3COO]-	481.07540	226.2
[M+Na-2H]-	443.03622	194.0
[M]+	422.06100	199.8
[M]-	422.06210	199.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

423.06883

197.3

[M+Na]+

445.05077

205.2

[M-H]-

421.05427

204.5

[M+NH4]+

440.09537

206.1

[M+K]+

461.02471

199.3

[M+H-H2O]+

405.05881

188.1

[M+HCOO]-

467.05975

206.8

[M+CH3COO]-

481.07540

226.2

[M+Na-2H]-

443.03622

194.0

[M]+

422.06100

199.8

[M]-

422.06210

199.8

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

Benzamide, n-(6-chloro-3-pyridinyl)-2-fluoro-4-[(5s)-2-oxo-5-[[(1-thioxoethyl)amino]methyl]-3-oxazolidinyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe