CID 25247407

1018996-06-9

Structural Information

Molecular Formula
C11H20N4O2S
SMILES
CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC(CC2)N
InChI
InChI=1S/C11H20N4O2S/c1-8-11(9(2)14(3)13-8)18(16,17)15-6-4-10(12)5-7-15/h10H,4-7,12H2,1-3H3
InChIKey
FCJUTEVDBDZZBY-UHFFFAOYSA-N
Compound name
1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1307 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13798 163.1
[M+Na]+ 295.11992 172.2
[M+NH4]+ 290.16452 168.9
[M+K]+ 311.09386 168.3
[M-H]- 271.12342 163.6
[M+Na-2H]- 293.10537 165.9
[M]+ 272.13015 164.6
[M]- 272.13125 164.6
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.