CID 170454632

N-(2,6-dimethoxypyrimidin-4-yl)-4-(hydroxyamino)benzenesulfonamide

Structural Information

Molecular Formula

C₁₂H₁₄N₄O₅S

SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NO)OC

InChI

InChI=1S/C12H14N4O5S/c1-20-11-7-10(13-12(14-11)21-2)16-22(18,19)9-5-3-8(15-17)4-6-9/h3-7,15,17H,1-2H3,(H,13,14,16)

InChIKey

GKQBCXIHPFMYHF-UHFFFAOYSA-N

Compound name

N-(2,6-dimethoxypyrimidin-4-yl)-4-(hydroxyamino)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 326.06848 Da
Monoisotopic Mass: 1.8
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]+	327.075756	169.5
[M+Na]+	349.057698	177.4
[M-H]-	325.061204	172.9
[M+NH4]+	344.102303	179.8
[M+K]+	365.031638	173.6
[M+H-H2O]+	309.065740	160.6
[M+HCOO]-	371.066681	186.9
[M+CH3COO]-	385.082331	206.1
[M+Na-2H]-	347.043146	175.8
[M]+	326.06793142	173.7
[M]-	326.06902858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.