PubChemLite - Tert-butyl 4-(4-{(5s)-5-[(acetylamino)methyl]-2-oxo(1,3-oxazolidin-3-yl)}-2-fluorophenoxy)piperidinecarboxylate (C22H30FN3O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C22H30FN3O6/c1-14(27)24-12-17-13-26(21(29)31-17)15-5-6-19(18(23)11-15)30-16-7-9-25(10-8-16)20(28)32-22(2,3)4/h5-6,11,16-17H,7-10,12-13H2,1-4H3,(H,24,27)/t17-/m0/s1

InChIKey

FATQXVDENMBSCU-KRWDZBQOSA-N

Compound name

tert-butyl 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidine-1-carboxylate

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]+	452.21913	207.1
[M+Na]+	474.20107	210.0
[M-H]-	450.20457	212.8
[M+NH4]+	469.24567	213.0
[M+K]+	490.17501	209.0
[M+H-H2O]+	434.20911	197.1
[M+HCOO]-	496.21005	218.2
[M+CH3COO]-	510.22570	233.1
[M+Na-2H]-	472.18652	203.0
[M]+	451.21130	206.4
[M]-	451.21240	206.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

452.21913

207.1

[M+Na]+

474.20107

210.0

[M-H]-

450.20457

212.8

[M+NH4]+

469.24567

213.0

[M+K]+

490.17501

209.0

[M+H-H2O]+

434.20911

197.1

[M+HCOO]-

496.21005

218.2

[M+CH3COO]-

510.22570

233.1

[M+Na-2H]-

472.18652

203.0

[M]+

451.21130

206.4

[M]-

451.21240

206.4

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

Tert-butyl 4-(4-{(5s)-5-[(acetylamino)methyl]-2-oxo(1,3-oxazolidin-3-yl)}-2-fluorophenoxy)piperidinecarboxylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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