PubChemLite - (5s)-3-[3-[(7-chloro-4-quinolyl)amino]propyl]-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]oxazolidin-2-one (C26H29ClFN5O2)

Structural Information

Molecular Formula

SMILES

C1CN(CCN1C[C@H]2CN(C(=O)O2)CCCNC3=C4C=CC(=CC4=NC=C3)Cl)C5=CC=CC=C5F

InChI

InChI=1S/C26H29ClFN5O2/c27-19-6-7-21-23(8-10-30-24(21)16-19)29-9-3-11-33-18-20(35-26(33)34)17-31-12-14-32(15-13-31)25-5-2-1-4-22(25)28/h1-2,4-8,10,16,20H,3,9,11-15,17-18H2,(H,29,30)/t20-/m0/s1

InChIKey

SCDUVBNBLXLMTB-FQEVSTJZSA-N

Compound name

(5S)-3-[3-[(7-chloroquinolin-4-yl)amino]propyl]-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one

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]+	498.20665	223.0
[M+Na]+	520.18859	228.2
[M-H]-	496.19209	228.9
[M+NH4]+	515.23319	225.4
[M+K]+	536.16253	219.9
[M+H-H2O]+	480.19663	207.7
[M+HCOO]-	542.19757	228.1
[M+CH3COO]-	556.21322	227.7
[M+Na-2H]-	518.17404	219.2
[M]+	497.19882	220.7
[M]-	497.19992	220.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

498.20665

223.0

[M+Na]+

520.18859

228.2

[M-H]-

496.19209

228.9

[M+NH4]+

515.23319

225.4

[M+K]+

536.16253

219.9

[M+H-H2O]+

480.19663

207.7

[M+HCOO]-

542.19757

228.1

[M+CH3COO]-

556.21322

227.7

[M+Na-2H]-

518.17404

219.2

[M]+

497.19882

220.7

[M]-

497.19992

220.7

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

(5s)-3-[3-[(7-chloro-4-quinolyl)amino]propyl]-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]oxazolidin-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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