PubChemLite - N-({5-[4-((5s)-2-oxo-5-{[(thioxoethyl)amino]methyl}(1,3-oxazolidin-3-yl))-2-fluorophenyl]-1,3,4-thiadiazol-2-yl}methyl)carboxamide (C16H16FN5O3S2)

Structural Information

Molecular Formula

SMILES

CC(=S)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=NN=C(S3)CNC=O)F

InChI

InChI=1S/C16H16FN5O3S2/c1-9(26)19-5-11-7-22(16(24)25-11)10-2-3-12(13(17)4-10)15-21-20-14(27-15)6-18-8-23/h2-4,8,11H,5-7H2,1H3,(H,18,23)(H,19,26)/t11-/m0/s1

InChIKey

UACGSENREKGCFG-NSHDSACASA-N

Compound name

N-[[5-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazol-2-yl]methyl]formamide

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]+	410.07515	190.9
[M+Na]+	432.05709	199.7
[M-H]-	408.06059	197.1
[M+NH4]+	427.10169	200.6
[M+K]+	448.03103	194.1
[M+H-H2O]+	392.06513	182.8
[M+HCOO]-	454.06607	201.2
[M+CH3COO]-	468.08172	223.1
[M+Na-2H]-	430.04254	186.4
[M]+	409.06732	193.8
[M]-	409.06842	193.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

410.07515

190.9

[M+Na]+

432.05709

199.7

[M-H]-

408.06059

197.1

[M+NH4]+

427.10169

200.6

[M+K]+

448.03103

194.1

[M+H-H2O]+

392.06513

182.8

[M+HCOO]-

454.06607

201.2

[M+CH3COO]-

468.08172

223.1

[M+Na-2H]-

430.04254

186.4

[M]+

409.06732

193.8

[M]-

409.06842

193.8

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

N-({5-[4-((5s)-2-oxo-5-{[(thioxoethyl)amino]methyl}(1,3-oxazolidin-3-yl))-2-fluorophenyl]-1,3,4-thiadiazol-2-yl}methyl)carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe