CID 40081478

N-cyclopentyl-n,3,5-trimethyl-1h-pyrazole-4-sulfonamide dihydrochloride

Structural Information

Molecular Formula

C₁₁H₁₉N₃O₂S

SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N(C)C2CCCC2

InChI

InChI=1S/C11H19N3O2S/c1-8-11(9(2)13-12-8)17(15,16)14(3)10-6-4-5-7-10/h10H,4-7H2,1-3H3,(H,12,13)

InChIKey

RVSXQTHEBGUGON-UHFFFAOYSA-N

Compound name

N-cyclopentyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.1198 Da
Monoisotopic Mass: 1.4
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]+	258.127076	159.7
[M+Na]+	280.109018	167.2
[M-H]-	256.112524	164.5
[M+NH4]+	275.153623	177.9
[M+K]+	296.082958	165.1
[M+H-H2O]+	240.117060	153.2
[M+HCOO]-	302.118001	175.3
[M+CH3COO]-	316.133651	193.9
[M+Na-2H]-	278.094466	158.2
[M]+	257.11925142	160.5
[M]-	257.12034858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.