CID 121077

3,6-dimethoxy-4-sulfanilamidopyridazine

Structural Information

Molecular Formula
C12H14N4O4S
SMILES
COC1=NN=C(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC
InChI
InChI=1S/C12H14N4O4S/c1-19-11-7-10(12(20-2)15-14-11)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,16)
InChIKey
HSPPDULLZBLHRE-UHFFFAOYSA-N
Compound name
4-amino-N-(3,6-dimethoxypyridazin-4-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

310.07358 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08086 167.5
[M+Na]+ 333.06280 176.3
[M-H]- 309.06630 171.9
[M+NH4]+ 328.10740 179.1
[M+K]+ 349.03674 172.2
[M+H-H2O]+ 293.07084 158.6
[M+HCOO]- 355.07178 185.6
[M+CH3COO]- 369.08743 205.5
[M+Na-2H]- 331.04825 172.8
[M]+ 310.07303 171.2
[M]- 310.07413 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe