CID 25247408

1019006-27-9

Structural Information

Molecular Formula
C10H18N4O2S
SMILES
CCN1C=C(C=N1)S(=O)(=O)N2CCC(CC2)N
InChI
InChI=1S/C10H18N4O2S/c1-2-13-8-10(7-12-13)17(15,16)14-5-3-9(11)4-6-14/h7-9H,2-6,11H2,1H3
InChIKey
BGPWUPUFAAFZJE-UHFFFAOYSA-N
Compound name
1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.11505 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12233 158.7
[M+Na]+ 281.10427 166.1
[M-H]- 257.10777 161.0
[M+NH4]+ 276.14887 173.4
[M+K]+ 297.07821 162.6
[M+H-H2O]+ 241.11231 150.9
[M+HCOO]- 303.11325 171.6
[M+CH3COO]- 317.12890 192.4
[M+Na-2H]- 279.08972 159.1
[M]+ 258.11450 156.8
[M]- 258.11560 156.8
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.