CID 71756970

3,5-diethyl-1-methyl-1h-pyrazole-4-sulfonamide

Structural Information

Molecular Formula
C8H15N3O2S
SMILES
CCC1=C(C(=NN1C)CC)S(=O)(=O)N
InChI
InChI=1S/C8H15N3O2S/c1-4-6-8(14(9,12)13)7(5-2)11(3)10-6/h4-5H2,1-3H3,(H2,9,12,13)
InChIKey
WZDIZQUBZARQMM-UHFFFAOYSA-N
Compound name
3,5-diethyl-1-methylpyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.0885 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09578 147.3
[M+Na]+ 240.07772 157.9
[M-H]- 216.08122 149.0
[M+NH4]+ 235.12232 165.8
[M+K]+ 256.05166 154.9
[M+H-H2O]+ 200.08576 141.2
[M+HCOO]- 262.08670 164.5
[M+CH3COO]- 276.10235 188.0
[M+Na-2H]- 238.06317 148.2
[M]+ 217.08795 151.0
[M]- 217.08905 151.0
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.