PubChemLite - Chembl288406 (C20H23FN4O3S)

Structural Information

Molecular Formula

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CN(C=C2)C3=CC(=C(C=C3)N4CCSCC4)F

InChI

InChI=1S/C20H23FN4O3S/c1-14(26)22-11-17-13-25(20(27)28-17)16-4-5-24(12-16)15-2-3-19(18(21)10-15)23-6-8-29-9-7-23/h2-5,10,12,17H,6-9,11,13H2,1H3,(H,22,26)/t17-/m0/s1

InChIKey

PZFZQNLORYXVEG-KRWDZBQOSA-N

Compound name

N-[[(5S)-3-[1-(3-fluoro-4-thiomorpholin-4-ylphenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

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]+	419.15478	197.6
[M+Na]+	441.13672	203.4
[M-H]-	417.14022	206.1
[M+NH4]+	436.18132	206.1
[M+K]+	457.11066	199.1
[M+H-H2O]+	401.14476	187.8
[M+HCOO]-	463.14570	207.8
[M+CH3COO]-	477.16135	205.6
[M+Na-2H]-	439.12217	190.5
[M]+	418.14695	195.7
[M]-	418.14805	195.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

419.15478

197.6

[M+Na]+

441.13672

203.4

[M-H]-

417.14022

206.1

[M+NH4]+

436.18132

206.1

[M+K]+

457.11066

199.1

[M+H-H2O]+

401.14476

187.8

[M+HCOO]-

463.14570

207.8

[M+CH3COO]-

477.16135

205.6

[M+Na-2H]-

439.12217

190.5

[M]+

418.14695

195.7

[M]-

418.14805

195.7

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

Chembl288406

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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