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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12708 159.7
[M+Na]+ 280.10902 167.2
[M-H]- 256.11252 164.5
[M+NH4]+ 275.15362 177.9
[M+K]+ 296.08296 165.1
[M+H-H2O]+ 240.11706 153.2
[M+HCOO]- 302.11800 175.3
[M+CH3COO]- 316.13365 193.9
[M+Na-2H]- 278.09447 158.2
[M]+ 257.11925 160.5
[M]- 257.12035 160.5
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.