CID 5343

Sulfisomidine

Structural Information

Molecular Formula

C₁₂H₁₄N₄O₂S

SMILES

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

InChI

InChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)

InChIKey

YZMCKZRAOLZXAZ-UHFFFAOYSA-N

Compound name

4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 173
References: 6600
Patents: 278.08374 Da
Monoisotopic Mass: 1.2
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]+	279.091016	161.8
[M+Na]+	301.072958	171.3
[M-H]-	277.076464	166.3
[M+NH4]+	296.117563	175.1
[M+K]+	317.046898	165.9
[M+H-H2O]+	261.081000	153.5
[M+HCOO]-	323.081941	179.6
[M+CH3COO]-	337.097591	201.0
[M+Na-2H]-	299.058406	166.7
[M]+	278.08319142	162.9
[M]-	278.08428858	162.9

Literature stripe

literature stripe

Patent stripe

patents stripe