CID 16226783

N-tert-butyl-3,5-dimethyl-1h-pyrazole-4-sulfonamide

Structural Information

Molecular Formula
C9H17N3O2S
SMILES
CC1=C(C(=NN1)C)S(=O)(=O)NC(C)(C)C
InChI
InChI=1S/C9H17N3O2S/c1-6-8(7(2)11-10-6)15(13,14)12-9(3,4)5/h12H,1-5H3,(H,10,11)
InChIKey
ZVUFXVOWXLBOGH-UHFFFAOYSA-N
Compound name
N-tert-butyl-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

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.111416 153.4
[M+Na]+ 254.093358 162.6
[M-H]- 230.096864 154.1
[M+NH4]+ 249.137963 170.8
[M+K]+ 270.067298 159.5
[M+H-H2O]+ 214.101400 147.8
[M+HCOO]- 276.102341 168.0
[M+CH3COO]- 290.117991 187.7
[M+Na-2H]- 252.078806 156.2
[M]+ 231.10359142 155.6
[M]- 231.10468858 155.6
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.