PubChemLite - Sstc3 (C23H17F3N4O3S2)

Structural Information

Molecular Formula

SMILES

CN(C1=CC=C(C=C1)C(F)(F)F)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=N4

InChI

InChI=1S/C23H17F3N4O3S2/c1-30(17-9-7-16(8-10-17)23(24,25)26)35(32,33)18-11-5-15(6-12-18)21(31)29-22-28-20(14-34-22)19-4-2-3-13-27-19/h2-14H,1H3,(H,28,29,31)

InChIKey

HSFAATUFWDDUGW-UHFFFAOYSA-N

Compound name

4-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-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]+	519.07668	206.9
[M+Na]+	541.05862	215.2
[M+NH4]+	536.10322	210.1
[M+K]+	557.03256	209.2
[M-H]-	517.06212	208.2
[M+Na-2H]-	539.04407	214.8
[M]+	518.06885	209.0
[M]-	518.06995	209.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

519.07668

206.9

[M+Na]+

541.05862

215.2

[M+NH4]+

536.10322

210.1

[M+K]+

557.03256

209.2

[M-H]-

517.06212

208.2

[M+Na-2H]-

539.04407

214.8

[M]+

518.06885

209.0

[M]-

518.06995

209.0

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

Sstc3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe