PubChemLite - 2-oxazolidinone, 3-[2-[(7-chloro-4-quinolinyl)amino]ethyl]-5-[[4-(2-ethoxyphenyl)-1-piperazinyl]methyl]- (C27H32ClN5O3)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC3CN(C(=O)O3)CCNC4=C5C=CC(=CC5=NC=C4)Cl

InChI

InChI=1S/C27H32ClN5O3/c1-2-35-26-6-4-3-5-25(26)32-15-13-31(14-16-32)18-21-19-33(27(34)36-21)12-11-30-23-9-10-29-24-17-20(28)7-8-22(23)24/h3-10,17,21H,2,11-16,18-19H2,1H3,(H,29,30)

InChIKey

NGDSFCYEBQXSOV-UHFFFAOYSA-N

Compound name

3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[[4-(2-ethoxyphenyl)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]+	510.22664	226.1
[M+Na]+	532.20858	230.4
[M-H]-	508.21208	233.2
[M+NH4]+	527.25318	227.9
[M+K]+	548.18252	223.4
[M+H-H2O]+	492.21662	211.6
[M+HCOO]-	554.21756	232.1
[M+CH3COO]-	568.23321	230.8
[M+Na-2H]-	530.19403	222.7
[M]+	509.21881	226.3
[M]-	509.21991	226.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

510.22664

226.1

[M+Na]+

532.20858

230.4

[M-H]-

508.21208

233.2

[M+NH4]+

527.25318

227.9

[M+K]+

548.18252

223.4

[M+H-H2O]+

492.21662

211.6

[M+HCOO]-

554.21756

232.1

[M+CH3COO]-

568.23321

230.8

[M+Na-2H]-

530.19403

222.7

[M]+

509.21881

226.3

[M]-

509.21991

226.3

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

2-oxazolidinone, 3-[2-[(7-chloro-4-quinolinyl)amino]ethyl]-5-[[4-(2-ethoxyphenyl)-1-piperazinyl]methyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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