PubChemLite - (2e,5z)-5-[2-oxo-5-(trifluoromethoxy)indolin-3-ylidene]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]thiazolidin-4-one (C20H10F3N5O4S)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=NN=C(O2)NC3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)OC(F)(F)F)O

InChI

InChI=1S/C20H10F3N5O4S/c21-20(22,23)32-10-6-7-12-11(8-10)13(15(29)24-12)14-16(30)25-19(33-14)26-18-28-27-17(31-18)9-4-2-1-3-5-9/h1-8,30H,(H,25,26,28)

InChIKey

WGEGLAMPDMALCZ-UHFFFAOYSA-N

Compound name

3-[4-hydroxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,3-thiazol-5-yl]-5-(trifluoromethoxy)indol-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]+	474.04784	199.8
[M+Na]+	496.02978	213.9
[M-H]-	472.03328	208.9
[M+NH4]+	491.07438	207.9
[M+K]+	512.00372	208.7
[M+H-H2O]+	456.03782	190.8
[M+HCOO]-	518.03876	215.2
[M+CH3COO]-	532.05441	210.3
[M+Na-2H]-	494.01523	199.4
[M]+	473.04001	207.2
[M]-	473.04111	207.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

474.04784

199.8

[M+Na]+

496.02978

213.9

[M-H]-

472.03328

208.9

[M+NH4]+

491.07438

207.9

[M+K]+

512.00372

208.7

[M+H-H2O]+

456.03782

190.8

[M+HCOO]-

518.03876

215.2

[M+CH3COO]-

532.05441

210.3

[M+Na-2H]-

494.01523

199.4

[M]+

473.04001

207.2

[M]-

473.04111

207.2

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

(2e,5z)-5-[2-oxo-5-(trifluoromethoxy)indolin-3-ylidene]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]thiazolidin-4-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe