CID 13755

Sulfaethoxypyridazine

Structural Information

Molecular Formula

C₁₂H₁₄N₄O₃S

SMILES

CCOC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

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

InChIKey

FFJIWWBSBCOKLS-UHFFFAOYSA-N

Compound name

4-amino-N-(6-ethoxypyridazin-3-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 18
References: 143
Patents: 294.07867 Da
Monoisotopic Mass: 0.7
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]+	295.08595	164.0
[M+Na]+	317.06789	172.3
[M-H]-	293.07139	168.1
[M+NH4]+	312.11249	176.2
[M+K]+	333.04183	167.6
[M+H-H2O]+	277.07593	155.2
[M+HCOO]-	339.07687	182.0
[M+CH3COO]-	353.09252	202.0
[M+Na-2H]-	315.05334	169.9
[M]+	294.07812	166.0
[M]-	294.07922	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe