PubChemLite - Vrc3251 (C19H19FN4O4S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C19H19FN4O4S/c1-11(25)21-9-14-10-24(19(27)28-14)13-4-5-15(16(20)7-13)18(26)23-12-3-6-17(29-2)22-8-12/h3-8,14H,9-10H2,1-2H3,(H,21,25)(H,23,26)/t14-/m0/s1

InChIKey

WGXDROMNZYTHCX-AWEZNQCLSA-N

Compound name

4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfanylpyridin-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]+	419.11838	197.7
[M+Na]+	441.10032	204.2
[M-H]-	417.10382	204.7
[M+NH4]+	436.14492	205.5
[M+K]+	457.07426	200.1
[M+H-H2O]+	401.10836	187.5
[M+HCOO]-	463.10930	211.5
[M+CH3COO]-	477.12495	228.0
[M+Na-2H]-	439.08577	194.7
[M]+	418.11055	199.7
[M]-	418.11165	199.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

419.11838

197.7

[M+Na]+

441.10032

204.2

[M-H]-

417.10382

204.7

[M+NH4]+

436.14492

205.5

[M+K]+

457.07426

200.1

[M+H-H2O]+

401.10836

187.5

[M+HCOO]-

463.10930

211.5

[M+CH3COO]-

477.12495

228.0

[M+Na-2H]-

439.08577

194.7

[M]+

418.11055

199.7

[M]-

418.11165

199.7

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

Vrc3251

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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