PubChemLite - N-[((5s)-3-{4-[1-(2-aminoacetyl)(4-piperidyloxy)]-3-fluorophenyl}-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide (C19H25FN4O5)

Structural Information

Molecular Formula

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)OC3CCN(CC3)C(=O)CN)F

InChI

InChI=1S/C19H25FN4O5/c1-12(25)22-10-15-11-24(19(27)29-15)13-2-3-17(16(20)8-13)28-14-4-6-23(7-5-14)18(26)9-21/h2-3,8,14-15H,4-7,9-11,21H2,1H3,(H,22,25)/t15-/m0/s1

InChIKey

BFPNJDCDVVYDPG-HNNXBMFYSA-N

Compound name

N-[[(5S)-3-[4-[1-(2-aminoacetyl)piperidin-4-yl]oxy-3-fluorophenyl]-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]+	409.18818	196.4
[M+Na]+	431.17012	199.4
[M-H]-	407.17362	201.7
[M+NH4]+	426.21472	203.3
[M+K]+	447.14406	197.3
[M+H-H2O]+	391.17816	185.5
[M+HCOO]-	453.17910	210.2
[M+CH3COO]-	467.19475	227.8
[M+Na-2H]-	429.15557	191.6
[M]+	408.18035	192.2
[M]-	408.18145	192.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.18818

196.4

[M+Na]+

431.17012

199.4

[M-H]-

407.17362

201.7

[M+NH4]+

426.21472

203.3

[M+K]+

447.14406

197.3

[M+H-H2O]+

391.17816

185.5

[M+HCOO]-

453.17910

210.2

[M+CH3COO]-

467.19475

227.8

[M+Na-2H]-

429.15557

191.6

[M]+

408.18035

192.2

[M]-

408.18145

192.2

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

N-[((5s)-3-{4-[1-(2-aminoacetyl)(4-piperidyloxy)]-3-fluorophenyl}-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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