CID 2348

Benzylhydrochlorothiazide

Structural Information

Molecular Formula
C14H14ClN3O4S2
SMILES
C1=CC=C(C=C1)CC2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl
InChI
InChI=1S/C14H14ClN3O4S2/c15-10-7-11-13(8-12(10)23(16,19)20)24(21,22)18-14(17-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,17-18H,6H2,(H2,16,19,20)
InChIKey
BWSSMIJUDVUASQ-UHFFFAOYSA-N
Compound name
3-benzyl-6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

4375
Patents

387.0114 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.01868 179.6
[M+Na]+ 410.00062 191.2
[M+NH4]+ 405.04522 186.7
[M+K]+ 425.97456 180.7
[M-H]- 386.00412 180.6
[M+Na-2H]- 407.98607 185.9
[M]+ 387.01085 182.7
[M]- 387.01195 182.7
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