CID 16226714

N,n-diethyl-3,5-dimethyl-1h-pyrazole-4-sulfonamide

Structural Information

Molecular Formula
C9H17N3O2S
SMILES
CCN(CC)S(=O)(=O)C1=C(NN=C1C)C
InChI
InChI=1S/C9H17N3O2S/c1-5-12(6-2)15(13,14)9-7(3)10-11-8(9)4/h5-6H2,1-4H3,(H,10,11)
InChIKey
JYZSUIPYLDDJDC-UHFFFAOYSA-N
Compound name
N,N-diethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10414 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.111416 151.6
[M+Na]+ 254.093358 160.6
[M-H]- 230.096864 153.4
[M+NH4]+ 249.137963 169.5
[M+K]+ 270.067298 158.4
[M+H-H2O]+ 214.101400 145.2
[M+HCOO]- 276.102341 168.2
[M+CH3COO]- 290.117991 191.3
[M+Na-2H]- 252.078806 152.8
[M]+ 231.10359142 155.7
[M]- 231.10468858 155.7
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.