CID 25247404

1-[(1-methyl-1h-pyrazol-4-yl)sulfonyl]piperidin-4-amine hydrochloride

Structural Information

Molecular Formula
C9H16N4O2S
SMILES
CN1C=C(C=N1)S(=O)(=O)N2CCC(CC2)N
InChI
InChI=1S/C9H16N4O2S/c1-12-7-9(6-11-12)16(14,15)13-4-2-8(10)3-5-13/h6-8H,2-5,10H2,1H3
InChIKey
CISPPNKHAJENNL-UHFFFAOYSA-N
Compound name
1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

244.0994 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10668 154.5
[M+Na]+ 267.08862 162.4
[M-H]- 243.09212 157.0
[M+NH4]+ 262.13322 169.8
[M+K]+ 283.06256 159.1
[M+H-H2O]+ 227.09666 146.9
[M+HCOO]- 289.09760 167.7
[M+CH3COO]- 303.11325 189.4
[M+Na-2H]- 265.07407 155.4
[M]+ 244.09885 152.3
[M]- 244.09995 152.3
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

patents stripe