CID 162643

6-hydroxymethylsulfadimidine

Structural Information

Molecular Formula

C₁₂H₁₄N₄O₃S

SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)CO

InChI

InChI=1S/C12H14N4O3S/c1-8-6-10(7-17)15-12(14-8)16-20(18,19)11-4-2-9(13)3-5-11/h2-6,17H,7,13H2,1H3,(H,14,15,16)

InChIKey

GSRTYDUUOGUWHO-UHFFFAOYSA-N

Compound name

4-amino-N-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 294.07867 Da
Monoisotopic Mass: -1.0
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]+	295.085946	164.6
[M+Na]+	317.067888	173.3
[M-H]-	293.071394	167.7
[M+NH4]+	312.112493	176.4
[M+K]+	333.041828	167.8
[M+H-H2O]+	277.075930	156.4
[M+HCOO]-	339.076871	181.1
[M+CH3COO]-	353.092521	201.0
[M+Na-2H]-	315.053336	169.4
[M]+	294.07812142	165.2
[M]-	294.07921858	165.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.