(3z)-1-(2-fluorobenzyl)-3-(2-(4-methoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6h)-ylidene)-1,3-dihydro-2h-indol-2-one (C26H17FN4O3S)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/4\C5=CC=CC=C5N(C4=O)CC6=CC=CC=C6F)/SC3=N2

InChI

InChI=1S/C26H17FN4O3S/c1-34-17-12-10-15(11-13-17)23-28-26-31(29-23)25(33)22(35-26)21-18-7-3-5-9-20(18)30(24(21)32)14-16-6-2-4-8-19(16)27/h2-13H,14H2,1H3/b22-21-

InChIKey

MFOKSBLMIHSUOM-DQRAZIAOSA-N

Compound name

(5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-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]+	485.107796	216.3
[M+Na]+	507.089738	230.3
[M-H]-	483.093244	228.2
[M+NH4]+	502.134343	227.0
[M+K]+	523.063678	222.1
[M+H-H2O]+	467.097780	207.4
[M+HCOO]-	529.098721	231.3
[M+CH3COO]-	543.114371	226.2
[M+Na-2H]-	505.075186	210.1
[M]+	484.09997142	223.7
[M]-	484.10106858	223.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.107796

216.3

[M+Na]+

507.089738

230.3

[M-H]-

483.093244

228.2

[M+NH4]+

502.134343

227.0

[M+K]+

523.063678

222.1

[M+H-H2O]+

467.097780

207.4

[M+HCOO]-

529.098721

231.3

[M+CH3COO]-

543.114371

226.2

[M+Na-2H]-

505.075186

210.1

[M]+

484.09997142

223.7

[M]-

484.10106858

223.7

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

(3z)-1-(2-fluorobenzyl)-3-(2-(4-methoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6h)-ylidene)-1,3-dihydro-2h-indol-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe