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

7
Annotation Hits: 162
References: 7048
Patents: 379.04272 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	380.049996	179.6
[M+Na]+	402.031938	187.7
[M-H]-	378.035444	180.7
[M+NH4]+	397.076543	193.3
[M+K]+	418.005878	180.1
[M+H-H2O]+	362.039980	176.0
[M+HCOO]-	424.040921	179.1
[M+CH3COO]-	438.056571	205.4
[M+Na-2H]-	400.017386	180.8
[M]+	379.04217142	178.3
[M]-	379.04326858	178.3

Literature stripe

literature stripe

Patent stripe

patents stripe