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]+ 245.106676 154.5
[M+Na]+ 267.088618 162.4
[M-H]- 243.092124 157.0
[M+NH4]+ 262.133223 169.8
[M+K]+ 283.062558 159.1
[M+H-H2O]+ 227.096660 146.9
[M+HCOO]- 289.097601 167.7
[M+CH3COO]- 303.113251 189.4
[M+Na-2H]- 265.074066 155.4
[M]+ 244.09885142 152.3
[M]- 244.09994858 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

No patent data available for this compound.