PubChemLite - Lasjjtmgnlgohq-inizcteosa-n (C22H24FN3O5S)

Structural Information

Molecular Formula

SMILES

C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)CCC(=O)C4=CC=CS4)F

InChI

InChI=1S/C22H24FN3O5S/c23-17-12-15(3-4-18(17)25-7-9-30-10-8-25)26-14-16(31-22(26)29)13-24-21(28)6-5-19(27)20-2-1-11-32-20/h1-4,11-12,16H,5-10,13-14H2,(H,24,28)/t16-/m0/s1

InChIKey

LASJJTMGNLGOHQ-INIZCTEOSA-N

Compound name

N-[[(5S)-3-(3-fluoro-4-morpholin-4-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]+	462.14934	207.5
[M+Na]+	484.13128	210.9
[M-H]-	460.13478	217.2
[M+NH4]+	479.17588	213.5
[M+K]+	500.10522	208.8
[M+H-H2O]+	444.13932	198.5
[M+HCOO]-	506.14026	217.0
[M+CH3COO]-	520.15591	230.6
[M+Na-2H]-	482.11673	200.5
[M]+	461.14151	207.3
[M]-	461.14261	207.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

462.14934

207.5

[M+Na]+

484.13128

210.9

[M-H]-

460.13478

217.2

[M+NH4]+

479.17588

213.5

[M+K]+

500.10522

208.8

[M+H-H2O]+

444.13932

198.5

[M+HCOO]-

506.14026

217.0

[M+CH3COO]-

520.15591

230.6

[M+Na-2H]-

482.11673

200.5

[M]+

461.14151

207.3

[M]-

461.14261

207.3

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

Lasjjtmgnlgohq-inizcteosa-n

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe