CID 25247405

1019006-22-4

Structural Information

Molecular Formula
C10H18N4O2S
SMILES
CC1=NN(C=C1S(=O)(=O)N2CCC(CC2)N)C
InChI
InChI=1S/C10H18N4O2S/c1-8-10(7-13(2)12-8)17(15,16)14-5-3-9(11)4-6-14/h7,9H,3-6,11H2,1-2H3
InChIKey
KBUNKQSIZUJYDW-UHFFFAOYSA-N
Compound name
1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.11505 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.122326 159.1
[M+Na]+ 281.104268 167.4
[M-H]- 257.107774 161.8
[M+NH4]+ 276.148873 174.1
[M+K]+ 297.078208 163.8
[M+H-H2O]+ 241.112310 151.6
[M+HCOO]- 303.113251 171.9
[M+CH3COO]- 317.128901 193.6
[M+Na-2H]- 279.089716 158.8
[M]+ 258.11450142 157.6
[M]- 258.11559858 157.6
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.