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]+ 232.11142 151.6
[M+Na]+ 254.09336 160.6
[M-H]- 230.09686 153.4
[M+NH4]+ 249.13796 169.5
[M+K]+ 270.06730 158.4
[M+H-H2O]+ 214.10140 145.2
[M+HCOO]- 276.10234 168.2
[M+CH3COO]- 290.11799 191.3
[M+Na-2H]- 252.07881 152.8
[M]+ 231.10359 155.7
[M]- 231.10469 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.