PubChemLite - 2338811-71-3 (C20H19F3N6O3S2)

Structural Information

Molecular Formula

SMILES

CC(C)(C1=CSC(=N1)NS(=O)(=O)C2CC2)C(=O)NC3=NC=C(C=C3)C4=CN=CC(=N4)C(F)(F)F

InChI

InChI=1S/C20H19F3N6O3S2/c1-19(2,15-10-33-18(27-15)29-34(31,32)12-4-5-12)17(30)28-16-6-3-11(7-25-16)13-8-24-9-14(26-13)20(21,22)23/h3,6-10,12H,4-5H2,1-2H3,(H,27,29)(H,25,28,30)

InChIKey

CZIDGRDZSFIUHX-UHFFFAOYSA-N

Compound name

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl]propanamide

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]+	513.09848	206.1
[M+Na]+	535.08042	214.3
[M-H]-	511.08392	209.9
[M+NH4]+	530.12502	204.6
[M+K]+	551.05436	205.3
[M+H-H2O]+	495.08846	196.0
[M+HCOO]-	557.08940	211.2
[M+CH3COO]-	571.10505	239.0
[M+Na-2H]-	533.06587	208.9
[M]+	512.09065	207.7
[M]-	512.09175	207.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.09848

206.1

[M+Na]+

535.08042

214.3

[M-H]-

511.08392

209.9

[M+NH4]+

530.12502

204.6

[M+K]+

551.05436

205.3

[M+H-H2O]+

495.08846

196.0

[M+HCOO]-

557.08940

211.2

[M+CH3COO]-

571.10505

239.0

[M+Na-2H]-

533.06587

208.9

[M]+

512.09065

207.7

[M]-

512.09175

207.7

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

2338811-71-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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