PubChemLite - Schembl3522281 (C23H26FN3O4S)

Structural Information

Molecular Formula

SMILES

C1CCN(CC1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)CCC(=O)C4=CC=CS4)F

InChI

InChI=1S/C23H26FN3O4S/c24-18-13-16(6-7-19(18)26-10-2-1-3-11-26)27-15-17(31-23(27)30)14-25-22(29)9-8-20(28)21-5-4-12-32-21/h4-7,12-13,17H,1-3,8-11,14-15H2,(H,25,29)/t17-/m0/s1

InChIKey

ZZONVTDTENZFBE-KRWDZBQOSA-N

Compound name

N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-thiophen-2-ylbutanamide

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]+	460.17008	208.2
[M+Na]+	482.15202	211.2
[M-H]-	458.15552	217.1
[M+NH4]+	477.19662	215.7
[M+K]+	498.12596	207.4
[M+H-H2O]+	442.16006	198.6
[M+HCOO]-	504.16100	218.0
[M+CH3COO]-	518.17665	230.8
[M+Na-2H]-	480.13747	200.1
[M]+	459.16225	206.5
[M]-	459.16335	206.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

460.17008

208.2

[M+Na]+

482.15202

211.2

[M-H]-

458.15552

217.1

[M+NH4]+

477.19662

215.7

[M+K]+

498.12596

207.4

[M+H-H2O]+

442.16006

198.6

[M+HCOO]-

504.16100

218.0

[M+CH3COO]-

518.17665

230.8

[M+Na-2H]-

480.13747

200.1

[M]+

459.16225

206.5

[M]-

459.16335

206.5

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

Schembl3522281

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe