PubChemLite - Schembl7085143 (C19H23FN4O6S)

Structural Information

Molecular Formula

SMILES

CS(=O)(=O)NC1CCN(CC1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COC4=NOC=C4)F

InChI

InChI=1S/C19H23FN4O6S/c1-31(26,27)22-13-4-7-23(8-5-13)17-3-2-14(10-16(17)20)24-11-15(30-19(24)25)12-28-18-6-9-29-21-18/h2-3,6,9-10,13,15,22H,4-5,7-8,11-12H2,1H3/t15-/m1/s1

InChIKey

NMNOMQMYLVGCFU-OAHLLOKOSA-N

Compound name

N-[1-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidin-4-yl]methanesulfonamide

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]+	455.13951	201.8
[M+Na]+	477.12145	207.9
[M-H]-	453.12495	211.2
[M+NH4]+	472.16605	207.1
[M+K]+	493.09539	206.3
[M+H-H2O]+	437.12949	193.0
[M+HCOO]-	499.13043	211.6
[M+CH3COO]-	513.14608	227.8
[M+Na-2H]-	475.10690	198.8
[M]+	454.13168	203.5
[M]-	454.13278	203.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.13951

201.8

[M+Na]+

477.12145

207.9

[M-H]-

453.12495

211.2

[M+NH4]+

472.16605

207.1

[M+K]+

493.09539

206.3

[M+H-H2O]+

437.12949

193.0

[M+HCOO]-

499.13043

211.6

[M+CH3COO]-

513.14608

227.8

[M+Na-2H]-

475.10690

198.8

[M]+

454.13168

203.5

[M]-

454.13278

203.5

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

Schembl7085143

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe