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]+ 259.12233 160.5
[M+Na]+ 281.10427 169.4
[M-H]- 257.10777 161.1
[M+NH4]+ 276.14887 174.1
[M+K]+ 297.07821 165.3
[M+H-H2O]+ 241.11231 153.0
[M+HCOO]- 303.11325 170.2
[M+CH3COO]- 317.12890 189.8
[M+Na-2H]- 279.08972 159.8
[M]+ 258.11450 159.4
[M]- 258.11560 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.