PubChemLite - N-[[(5s)-3-[3-fluoro-4-[[1-[2-(3-pyridylmethoxy)acetyl]-4-piperidyl]oxy]phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide (C25H29FN4O6)

Structural Information

Molecular Formula

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)OC3CCN(CC3)C(=O)COCC4=CN=CC=C4)F

InChI

InChI=1S/C25H29FN4O6/c1-17(31)28-13-21-14-30(25(33)36-21)19-4-5-23(22(26)11-19)35-20-6-9-29(10-7-20)24(32)16-34-15-18-3-2-8-27-12-18/h2-5,8,11-12,20-21H,6-7,9-10,13-16H2,1H3,(H,28,31)/t21-/m0/s1

InChIKey

AYABIFYVQCGETN-NRFANRHFSA-N

Compound name

N-[[(5S)-3-[3-fluoro-4-[1-[2-(pyridin-3-ylmethoxy)acetyl]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]+	501.21440	217.8
[M+Na]+	523.19634	219.6
[M-H]-	499.19984	224.7
[M+NH4]+	518.24094	219.1
[M+K]+	539.17028	216.8
[M+H-H2O]+	483.20438	204.2
[M+HCOO]-	545.20532	229.0
[M+CH3COO]-	559.22097	241.5
[M+Na-2H]-	521.18179	212.6
[M]+	500.20657	216.3
[M]-	500.20767	216.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

501.21440

217.8

[M+Na]+

523.19634

219.6

[M-H]-

499.19984

224.7

[M+NH4]+

518.24094

219.1

[M+K]+

539.17028

216.8

[M+H-H2O]+

483.20438

204.2

[M+HCOO]-

545.20532

229.0

[M+CH3COO]-

559.22097

241.5

[M+Na-2H]-

521.18179

212.6

[M]+

500.20657

216.3

[M]-

500.20767

216.3

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-(3-pyridylmethoxy)acetyl]-4-piperidyl]oxy]phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe