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

409
Patents

315.984 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.99128 163.0
[M+Na]+ 338.97322 175.5
[M-H]- 314.97672 167.1
[M+NH4]+ 334.01782 181.3
[M+K]+ 354.94716 168.2
[M+H-H2O]+ 298.98126 157.9
[M+HCOO]- 360.98220 167.9
[M+CH3COO]- 374.99785 174.6
[M+Na-2H]- 336.95867 164.6
[M]+ 315.98345 166.1
[M]- 315.98455 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.