PubChemLite - 3-quinolinecarboxamide, n-[(4-chlorophenyl)methyl]-1,4-dihydro-1-methyl-6-(4-morpholinylmethyl)-4-oxo-8-[4-(2-oxo-4-oxazolidinyl)-1-butynyl]- (C30H31ClN4O5)

Structural Information

Molecular Formula

SMILES

CN1C=C(C(=O)C2=CC(=CC(=C21)C#CCCC3COC(=O)N3)CN4CCOCC4)C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H31ClN4O5/c1-34-18-26(29(37)32-16-20-6-8-23(31)9-7-20)28(36)25-15-21(17-35-10-12-39-13-11-35)14-22(27(25)34)4-2-3-5-24-19-40-30(38)33-24/h6-9,14-15,18,24H,3,5,10-13,16-17,19H2,1H3,(H,32,37)(H,33,38)

InChIKey

PKTJQQZTTYHRPO-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxo-8-[4-(2-oxo-1,3-oxazolidin-4-yl)but-1-ynyl]quinoline-3-carboxamide

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]+	563.20558	234.3
[M+Na]+	585.18752	241.3
[M-H]-	561.19102	237.8
[M+NH4]+	580.23212	232.7
[M+K]+	601.16146	231.3
[M+H-H2O]+	545.19556	215.7
[M+HCOO]-	607.19650	233.6
[M+CH3COO]-	621.21215	236.4
[M+Na-2H]-	583.17297	227.2
[M]+	562.19775	228.3
[M]-	562.19885	228.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

563.20558

234.3

[M+Na]+

585.18752

241.3

[M-H]-

561.19102

237.8

[M+NH4]+

580.23212

232.7

[M+K]+

601.16146

231.3

[M+H-H2O]+

545.19556

215.7

[M+HCOO]-

607.19650

233.6

[M+CH3COO]-

621.21215

236.4

[M+Na-2H]-

583.17297

227.2

[M]+

562.19775

228.3

[M]-

562.19885

228.3

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

3-quinolinecarboxamide, n-[(4-chlorophenyl)methyl]-1,4-dihydro-1-methyl-6-(4-morpholinylmethyl)-4-oxo-8-[4-(2-oxo-4-oxazolidinyl)-1-butynyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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