CID 25247406

1018996-02-5

Structural Information

Molecular Formula
C10H18N4O2S
SMILES
CC1=C(C=NN1C)S(=O)(=O)N2CCC(CC2)N
InChI
InChI=1S/C10H18N4O2S/c1-8-10(7-12-13(8)2)17(15,16)14-5-3-9(11)4-6-14/h7,9H,3-6,11H2,1-2H3
InChIKey
SWHQOYIKZPGDJC-UHFFFAOYSA-N
Compound name
1-(1,5-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]+ 259.12233 158.2
[M+Na]+ 281.10427 167.2
[M+NH4]+ 276.14887 164.2
[M+K]+ 297.07821 163.3
[M-H]- 257.10777 158.6
[M+Na-2H]- 279.08972 161.5
[M]+ 258.11450 159.7
[M]- 258.11560 159.7
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.