CID 5047365

1-[(3,5-dimethyl-1h-pyrazol-4-yl)sulfonyl]-4-methylpiperazine

Structural Information

Molecular Formula
C10H18N4O2S
SMILES
CC1=C(C(=NN1)C)S(=O)(=O)N2CCN(CC2)C
InChI
InChI=1S/C10H18N4O2S/c1-8-10(9(2)12-11-8)17(15,16)14-6-4-13(3)5-7-14/h4-7H2,1-3H3,(H,11,12)
InChIKey
IVKDKZHQNRRRDA-UHFFFAOYSA-N
Compound name
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.11505 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.122326 160.5
[M+Na]+ 281.104268 169.4
[M-H]- 257.107774 161.1
[M+NH4]+ 276.148873 174.1
[M+K]+ 297.078208 165.3
[M+H-H2O]+ 241.112310 153.0
[M+HCOO]- 303.113251 170.2
[M+CH3COO]- 317.128901 189.8
[M+Na-2H]- 279.089716 159.8
[M]+ 258.11450142 159.4
[M]- 258.11559858 159.4
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.