CID 68550

Pazoxide

Structural Information

Molecular Formula
C12H10Cl2N2O2S
SMILES
C1C=CCC1C2=NS(=O)(=O)C3=CC(=C(C=C3N2)Cl)Cl
InChI
InChI=1S/C12H10Cl2N2O2S/c13-8-5-10-11(6-9(8)14)19(17,18)16-12(15-10)7-3-1-2-4-7/h1-2,5-7H,3-4H2,(H,15,16)
InChIKey
NXRJFNBTRPERHV-UHFFFAOYSA-N
Compound name
6,7-dichloro-3-cyclopent-3-en-1-yl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

413
Patents

315.984 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.991276 163.0
[M+Na]+ 338.973218 175.5
[M-H]- 314.976724 167.1
[M+NH4]+ 334.017823 181.3
[M+K]+ 354.947158 168.2
[M+H-H2O]+ 298.981260 157.9
[M+HCOO]- 360.982201 167.9
[M+CH3COO]- 374.997851 174.6
[M+Na-2H]- 336.958666 164.6
[M]+ 315.98345142 166.1
[M]- 315.98454858 166.1
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.