CID 43148

59943-31-6

Structural Information

Molecular Formula
C12H15ClN4O2S
SMILES
CN1CCN(CC1)C2=NS(=O)(=O)C3=C(N2)C=CC(=C3)Cl
InChI
InChI=1S/C12H15ClN4O2S/c1-16-4-6-17(7-5-16)12-14-10-3-2-9(13)8-11(10)20(18,19)15-12/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKey
JPZVJONKWYICFB-UHFFFAOYSA-N
Compound name
7-chloro-3-(4-methylpiperazin-1-yl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

314.06042 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06770 166.5
[M+Na]+ 337.04964 176.7
[M-H]- 313.05314 167.2
[M+NH4]+ 332.09424 179.5
[M+K]+ 353.02358 170.1
[M+H-H2O]+ 297.05768 158.3
[M+HCOO]- 359.05862 169.9
[M+CH3COO]- 373.07427 175.8
[M+Na-2H]- 335.03509 169.6
[M]+ 314.05987 165.6
[M]- 314.06097 165.6
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

patents stripe