CID 79398

Pyridinin

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₂S

SMILES

C1=CC(=CC=C1N)S(=O)(=O)C2=NC=C(C=C2)N

InChI

InChI=1S/C11H11N3O2S/c12-8-1-4-10(5-2-8)17(15,16)11-6-3-9(13)7-14-11/h1-7H,12-13H2

InChIKey

XVMSFILGAMDHEY-UHFFFAOYSA-N

Compound name

6-(4-aminophenyl)sulfonylpyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43596
Patents: 249.0572 Da
Monoisotopic Mass: 0.6
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]+	250.06448	152.6
[M+Na]+	272.04642	161.7
[M-H]-	248.04992	157.8
[M+NH4]+	267.09102	167.9
[M+K]+	288.02036	156.5
[M+H-H2O]+	232.05446	145.1
[M+HCOO]-	294.05540	171.5
[M+CH3COO]-	308.07105	193.4
[M+Na-2H]-	270.03187	157.7
[M]+	249.05665	151.6
[M]-	249.05775	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe