PubChemLite - Chembl191006 (C17H19F2N3O4)

Structural Information

Molecular Formula

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C(=C2)F)N3C[C@@H]4[C@H](C3)C4O)F

InChI

InChI=1S/C17H19F2N3O4/c1-8(23)20-4-10-5-22(17(25)26-10)9-2-13(18)15(14(19)3-9)21-6-11-12(7-21)16(11)24/h2-3,10-12,16,24H,4-7H2,1H3,(H,20,23)/t10-,11-,12+,16?/m0/s1

InChIKey

YPJUKYUNFIRENT-BHPQUYAUSA-N

Compound name

N-[[(5S)-3-[3,5-difluoro-4-[(1R,5S)-6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-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]+	368.14165	180.4
[M+Na]+	390.12359	190.4
[M-H]-	366.12709	186.5
[M+NH4]+	385.16819	188.3
[M+K]+	406.09753	184.3
[M+H-H2O]+	350.13163	172.5
[M+HCOO]-	412.13257	194.5
[M+CH3COO]-	426.14822	219.2
[M+Na-2H]-	388.10904	176.2
[M]+	367.13382	181.6
[M]-	367.13492	181.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

368.14165

180.4

[M+Na]+

390.12359

190.4

[M-H]-

366.12709

186.5

[M+NH4]+

385.16819

188.3

[M+K]+

406.09753

184.3

[M+H-H2O]+

350.13163

172.5

[M+HCOO]-

412.13257

194.5

[M+CH3COO]-

426.14822

219.2

[M+Na-2H]-

388.10904

176.2

[M]+

367.13382

181.6

[M]-

367.13492

181.6

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

Chembl191006

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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