CID 24758991

Schembl3798202

Structural Information

Molecular Formula
C20H12Cl3N3O3S
SMILES
C1=CC=C2C=NC(=CC2=C1)OC3=C(C=C(C=N3)NS(=O)(=O)C4=C(C=C(C=C4)Cl)Cl)Cl
InChI
InChI=1S/C20H12Cl3N3O3S/c21-14-5-6-18(16(22)8-14)30(27,28)26-15-9-17(23)20(25-11-15)29-19-7-12-3-1-2-4-13(12)10-24-19/h1-11,26H
InChIKey
VZDJWWHLGCWIIA-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

478.9665 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.973776 200.8
[M+Na]+ 501.955718 211.9
[M-H]- 477.959224 207.7
[M+NH4]+ 497.000323 208.7
[M+K]+ 517.929658 204.4
[M+H-H2O]+ 461.963760 192.2
[M+HCOO]- 523.964701 202.0
[M+CH3COO]- 537.980351 209.2
[M+Na-2H]- 499.941166 205.1
[M]+ 478.96595142 208.7
[M]- 478.96704858 208.7
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

patents stripe