CID 16274

Buthiazide

Structural Information

Molecular Formula
C11H16ClN3O4S2
SMILES
CC(C)CC1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl
InChI
InChI=1S/C11H16ClN3O4S2/c1-6(2)3-11-14-8-4-7(12)9(20(13,16)17)5-10(8)21(18,19)15-11/h4-6,11,14-15H,3H2,1-2H3,(H2,13,16,17)
InChIKey
HGBFRHCDYZJRAO-UHFFFAOYSA-N
Compound name
6-chloro-3-(2-methylpropyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

33
References

2405
Patents

353.02707 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.03435 168.5
[M+Na]+ 376.01629 177.0
[M-H]- 352.01979 166.6
[M+NH4]+ 371.06089 181.4
[M+K]+ 391.99023 169.8
[M+H-H2O]+ 336.02433 165.0
[M+HCOO]- 398.02527 167.7
[M+CH3COO]- 412.04092 203.8
[M+Na-2H]- 374.00174 171.3
[M]+ 353.02652 169.5
[M]- 353.02762 169.5
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