CID 3639

Hydrochlorothiazide

Structural Information

Molecular Formula
C7H8ClN3O4S2
SMILES
C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl
InChI
InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
InChIKey
JZUFKLXOESDKRF-UHFFFAOYSA-N
Compound name
6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

7231
References

78626
Patents

296.96448 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.97176 153.7
[M+Na]+ 319.95370 163.8
[M-H]- 295.95720 152.3
[M+NH4]+ 314.99830 168.8
[M+K]+ 335.92764 156.6
[M+H-H2O]+ 279.96174 150.4
[M+HCOO]- 341.96268 155.3
[M+CH3COO]- 355.97833 189.9
[M+Na-2H]- 317.93915 159.4
[M]+ 296.96393 153.5
[M]- 296.96503 153.5
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.