PubChemLite - 4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-n-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide (C23H19Cl2F4N3O4)

Structural Information

Molecular Formula

SMILES

CCN1C(=O)C(CO1)NC(=O)C2=C(C=C(C=C2)C3=NOC(C3)(C4=CC(=C(C(=C4)Cl)F)Cl)C(F)(F)F)C

InChI

InChI=1S/C23H19Cl2F4N3O4/c1-3-32-21(34)18(10-35-32)30-20(33)14-5-4-12(6-11(14)2)17-9-22(36-31-17,23(27,28)29)13-7-15(24)19(26)16(25)8-13/h4-8,18H,3,9-10H2,1-2H3,(H,30,33)

InChIKey

WLSQDEYDCAGPIR-UHFFFAOYSA-N

Compound name

4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide

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]+	548.07613	222.1
[M+Na]+	570.05807	232.7
[M-H]-	546.06157	229.3
[M+NH4]+	565.10267	228.8
[M+K]+	586.03201	227.2
[M+H-H2O]+	530.06611	211.3
[M+HCOO]-	592.06705	224.5
[M+CH3COO]-	606.08270	245.8
[M+Na-2H]-	568.04352	216.1
[M]+	547.06830	224.6
[M]-	547.06940	224.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

548.07613

222.1

[M+Na]+

570.05807

232.7

[M-H]-

546.06157

229.3

[M+NH4]+

565.10267

228.8

[M+K]+

586.03201

227.2

[M+H-H2O]+

530.06611

211.3

[M+HCOO]-

592.06705

224.5

[M+CH3COO]-

606.08270

245.8

[M+Na-2H]-

568.04352

216.1

[M]+

547.06830

224.6

[M]-

547.06940

224.6

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

4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-n-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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