CID 2904

Cyclopenthiazide

Structural Information

Molecular Formula
C13H18ClN3O4S2
SMILES
C1CCC(C1)CC2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl
InChI
InChI=1S/C13H18ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)5-8-3-1-2-4-8/h6-8,13,16-17H,1-5H2,(H2,15,18,19)
InChIKey
BKYKPTRYDKTTJY-UHFFFAOYSA-N
Compound name
6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

161
References

6369
Patents

379.04272 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.05000 178.8
[M+Na]+ 402.03194 186.7
[M+NH4]+ 397.07654 185.6
[M+K]+ 418.00588 179.1
[M-H]- 378.03544 178.4
[M+Na-2H]- 400.01739 181.8
[M]+ 379.04217 180.7
[M]- 379.04327 180.7
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