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

104
Patents

294.07867 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.