PubChemLite - Vrc3601 (C15H16FN5O4S)

Structural Information

Molecular Formula

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)NC(=O)C3=CSNN3)F

InChI

InChI=1S/C15H16FN5O4S/c1-8(22)17-5-10-6-21(15(24)25-10)9-2-3-12(11(16)4-9)18-14(23)13-7-26-20-19-13/h2-4,7,10,19-20H,5-6H2,1H3,(H,17,22)(H,18,23)/t10-/m0/s1

InChIKey

DZNMLULURYRRJG-JTQLQIEISA-N

Compound name

N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2,3-dihydrothiadiazole-4-carboxamide

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]+	382.09798	184.4
[M+Na]+	404.07992	189.8
[M-H]-	380.08342	187.9
[M+NH4]+	399.12452	192.7
[M+K]+	420.05386	185.7
[M+H-H2O]+	364.08796	175.7
[M+HCOO]-	426.08890	195.0
[M+CH3COO]-	440.10455	213.9
[M+Na-2H]-	402.06537	180.0
[M]+	381.09015	181.3
[M]-	381.09125	181.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

382.09798

184.4

[M+Na]+

404.07992

189.8

[M-H]-

380.08342

187.9

[M+NH4]+

399.12452

192.7

[M+K]+

420.05386

185.7

[M+H-H2O]+

364.08796

175.7

[M+HCOO]-

426.08890

195.0

[M+CH3COO]-

440.10455

213.9

[M+Na-2H]-

402.06537

180.0

[M]+

381.09015

181.3

[M]-

381.09125

181.3

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

Vrc3601

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe