PubChemLite - 5-(3,5-difluorophenyl)-2-hydroxy-n-[2-(3-nitro-2-furyl)-4-oxo-thiazolidin-3-yl]benzamide (C20H13F2N3O6S)

Structural Information

Molecular Formula

SMILES

C1C(=O)N(C(S1)C2=C(C=CO2)[N+](=O)[O-])NC(=O)C3=C(C=CC(=C3)C4=CC(=CC(=C4)F)F)O

InChI

InChI=1S/C20H13F2N3O6S/c21-12-5-11(6-13(22)8-12)10-1-2-16(26)14(7-10)19(28)23-24-17(27)9-32-20(24)18-15(25(29)30)3-4-31-18/h1-8,20,26H,9H2,(H,23,28)

InChIKey

WXZBUKPWBWNXJA-UHFFFAOYSA-N

Compound name

5-(3,5-difluorophenyl)-2-hydroxy-N-[2-(3-nitrofuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]benzamide

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]+	462.05660	201.4
[M+Na]+	484.03854	207.3
[M-H]-	460.04204	211.2
[M+NH4]+	479.08314	208.8
[M+K]+	500.01248	198.8
[M+H-H2O]+	444.04658	196.4
[M+HCOO]-	506.04752	216.2
[M+CH3COO]-	520.06317	223.7
[M+Na-2H]-	482.02399	199.4
[M]+	461.04877	199.7
[M]-	461.04987	199.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

462.05660

201.4

[M+Na]+

484.03854

207.3

[M-H]-

460.04204

211.2

[M+NH4]+

479.08314

208.8

[M+K]+

500.01248

198.8

[M+H-H2O]+

444.04658

196.4

[M+HCOO]-

506.04752

216.2

[M+CH3COO]-

520.06317

223.7

[M+Na-2H]-

482.02399

199.4

[M]+

461.04877

199.7

[M]-

461.04987

199.7

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

5-(3,5-difluorophenyl)-2-hydroxy-n-[2-(3-nitro-2-furyl)-4-oxo-thiazolidin-3-yl]benzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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