CID 477185

Chembl58865

Structural Information

Molecular Formula
C15H17ClN2O2S
SMILES
CC(C)C#CC1(C2=C(C=CC(=C2)Cl)NS(=O)(=O)N1)C3CC3
InChI
InChI=1S/C15H17ClN2O2S/c1-10(2)7-8-15(11-3-4-11)13-9-12(16)5-6-14(13)17-21(19,20)18-15/h5-6,9-11,17-18H,3-4H2,1-2H3
InChIKey
RNAITMBRVIPERX-UHFFFAOYSA-N
Compound name
6-chloro-4-cyclopropyl-4-(3-methylbut-1-ynyl)-1,3-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.06992 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.07720 169.4
[M+Na]+ 347.05914 186.3
[M-H]- 323.06264 172.6
[M+NH4]+ 342.10374 181.8
[M+K]+ 363.03308 174.7
[M+H-H2O]+ 307.06718 161.8
[M+HCOO]- 369.06812 171.8
[M+CH3COO]- 383.08377 178.9
[M+Na-2H]- 345.04459 172.5
[M]+ 324.06937 168.6
[M]- 324.07047 168.6
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.