CID 51056598

109036-89-7

Structural Information

Molecular Formula

C₁₇H₂₄N₄O₂S

SMILES

CCCCCCC1=NC(=NC(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C17H24N4O2S/c1-3-4-5-6-7-15-12-13(2)19-17(20-15)21-24(22,23)16-10-8-14(18)9-11-16/h8-12H,3-7,18H2,1-2H3,(H,19,20,21)

InChIKey

KYRCCWKTPWMTSK-UHFFFAOYSA-N

Compound name

4-amino-N-(4-hexyl-6-methylpyrimidin-2-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 348.162 Da
Monoisotopic Mass: 2.7
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]+	349.169276	182.9
[M+Na]+	371.151218	190.0
[M-H]-	347.154724	186.4
[M+NH4]+	366.195823	193.2
[M+K]+	387.125158	183.6
[M+H-H2O]+	331.159260	173.5
[M+HCOO]-	393.160201	199.0
[M+CH3COO]-	407.175851	215.9
[M+Na-2H]-	369.136666	185.5
[M]+	348.16145142	185.6
[M]-	348.16254858	185.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.