CID 19596

Sulfametomidine

Structural Information

Molecular Formula

C₁₂H₁₄N₄O₃S

SMILES

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

InChI

InChI=1S/C12H14N4O3S/c1-8-14-11(7-12(15-8)19-2)16-20(17,18)10-5-3-9(13)4-6-10/h3-7H,13H2,1-2H3,(H,14,15,16)

InChIKey

QKLSCPPJEVXONT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 32
References: 1696
Patents: 294.07867 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]+	295.085946	164.8
[M+Na]+	317.067888	173.9
[M-H]-	293.071394	169.2
[M+NH4]+	312.112493	177.2
[M+K]+	333.041828	169.2
[M+H-H2O]+	277.075930	156.2
[M+HCOO]-	339.076871	182.7
[M+CH3COO]-	353.092521	203.3
[M+Na-2H]-	315.053336	169.9
[M]+	294.07812142	167.2
[M]-	294.07921858	167.2

Literature stripe

literature stripe

Patent stripe

patents stripe