CID 471780

Chembl443037

Structural Information

Molecular Formula
C18H14N4O4S2
SMILES
COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4S3
InChI
InChI=1S/C18H14N4O4S2/c1-26-17-11-10-16(19-20-17)21-28(24,25)13-8-6-12(7-9-13)22-18(23)14-4-2-3-5-15(14)27-22/h2-11H,1H3,(H,19,21)
InChIKey
FAFOAFTWJYTZIP-UHFFFAOYSA-N
Compound name
N-(6-methoxypyridazin-3-yl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.04565 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.05293 194.0
[M+Na]+ 437.03487 206.2
[M-H]- 413.03837 202.1
[M+NH4]+ 432.07947 203.8
[M+K]+ 453.00881 198.9
[M+H-H2O]+ 397.04291 185.9
[M+HCOO]- 459.04385 207.1
[M+CH3COO]- 473.05950 204.2
[M+Na-2H]- 435.02032 199.0
[M]+ 414.04510 201.2
[M]- 414.04620 201.2
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

No patent data available for this compound.