PubChemLite - N-[((5s)-3-{3-fluoro-4-[1-(2-pyridylcarbonyl)(4-piperidyloxy)]phenyl}-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide (C23H25FN4O5)

Structural Information

Molecular Formula

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)OC3CCN(CC3)C(=O)C4=CC=CC=N4)F

InChI

InChI=1S/C23H25FN4O5/c1-15(29)26-13-18-14-28(23(31)33-18)16-5-6-21(19(24)12-16)32-17-7-10-27(11-8-17)22(30)20-4-2-3-9-25-20/h2-6,9,12,17-18H,7-8,10-11,13-14H2,1H3,(H,26,29)/t18-/m0/s1

InChIKey

BZWVRMDGFCQFRO-SFHVURJKSA-N

Compound name

N-[[(5S)-3-[3-fluoro-4-[1-(pyridine-2-carbonyl)piperidin-4-yl]oxyphenyl]-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]+	457.18818	207.9
[M+Na]+	479.17012	211.0
[M-H]-	455.17362	215.2
[M+NH4]+	474.21472	211.1
[M+K]+	495.14406	207.6
[M+H-H2O]+	439.17816	194.8
[M+HCOO]-	501.17910	219.7
[M+CH3COO]-	515.19475	233.5
[M+Na-2H]-	477.15557	203.3
[M]+	456.18035	204.4
[M]-	456.18145	204.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.18818

207.9

[M+Na]+

479.17012

211.0

[M-H]-

455.17362

215.2

[M+NH4]+

474.21472

211.1

[M+K]+

495.14406

207.6

[M+H-H2O]+

439.17816

194.8

[M+HCOO]-

501.17910

219.7

[M+CH3COO]-

515.19475

233.5

[M+Na-2H]-

477.15557

203.3

[M]+

456.18035

204.4

[M]-

456.18145

204.4

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe