CID 68690

Galosemide

Structural Information

Molecular Formula

C₁₅H₁₄F₃N₃O₃S

SMILES

CCC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C15H14F3N3O3S/c1-2-14(22)21-25(23,24)13-9-19-7-6-12(13)20-11-5-3-4-10(8-11)15(16,17)18/h3-9H,2H2,1H3,(H,19,20)(H,21,22)

InChIKey

GNWHIAXZYUDAFX-UHFFFAOYSA-N

Compound name

N-[4-[3-(trifluoromethyl)anilino]pyridin-3-yl]sulfonylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 52
Patents: 373.0708 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

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]+	374.07808	179.2
[M+Na]+	396.06002	186.0
[M+NH4]+	391.10462	182.0
[M+K]+	412.03396	180.9
[M-H]-	372.06352	176.5
[M+Na-2H]-	394.04547	183.5
[M]+	373.07025	179.3
[M]-	373.07135	179.3

Literature stripe

literature stripe

Patent stripe

patents stripe