CID 62373439

1-[(1-methyl-1h-imidazol-4-yl)sulfonyl]piperidin-4-amine dihydrochloride

Structural Information

Molecular Formula
C9H16N4O2S
SMILES
CN1C=C(N=C1)S(=O)(=O)N2CCC(CC2)N
InChI
InChI=1S/C9H16N4O2S/c1-12-6-9(11-7-12)16(14,15)13-4-2-8(10)3-5-13/h6-8H,2-5,10H2,1H3
InChIKey
DWGGFGIKIBLVFD-UHFFFAOYSA-N
Compound name
1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0994 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10668 153.4
[M+Na]+ 267.08862 162.2
[M+NH4]+ 262.13322 159.5
[M+K]+ 283.06256 158.4
[M-H]- 243.09212 153.8
[M+Na-2H]- 265.07407 157.2
[M]+ 244.09885 154.8
[M]- 244.09995 154.8
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.