CID 471765

Chembl169499

Structural Information

Molecular Formula
C17H11ClN4O3S2
SMILES
C1=CC=C2C(=C1)C(=O)N(S2)C3=CC=C(C=C3)S(=O)(=O)NC4=NN=C(C=C4)Cl
InChI
InChI=1S/C17H11ClN4O3S2/c18-15-9-10-16(20-19-15)21-27(24,25)12-7-5-11(6-8-12)22-17(23)13-3-1-2-4-14(13)26-22/h1-10H,(H,20,21)
InChIKey
QHTVOWFWIZGXNB-UHFFFAOYSA-N
Compound name
N-(6-chloropyridazin-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

417.99612 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.00340 192.6
[M+Na]+ 440.98534 206.1
[M-H]- 416.98884 201.0
[M+NH4]+ 436.02994 203.3
[M+K]+ 456.95928 197.6
[M+H-H2O]+ 400.99338 185.2
[M+HCOO]- 462.99432 201.3
[M+CH3COO]- 477.00997 203.1
[M+Na-2H]- 438.97079 197.2
[M]+ 417.99557 200.3
[M]- 417.99667 200.3
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.