CID 3059148

Pyrimidine, 2-(n-(1-benzyl-4-piperidyl)ethylamino)-, dihydrochloride

Structural Information

Molecular Formula
C18H24N4
SMILES
CCN(C1CCN(CC1)CC2=CC=CC=C2)C3=NC=CC=N3
InChI
InChI=1S/C18H24N4/c1-2-22(18-19-11-6-12-20-18)17-9-13-21(14-10-17)15-16-7-4-3-5-8-16/h3-8,11-12,17H,2,9-10,13-15H2,1H3
InChIKey
VQPORVAXEODWLT-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-N-ethylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.2001 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.20738 173.2
[M+Na]+ 319.18932 187.2
[M+NH4]+ 314.23392 181.4
[M+K]+ 335.16326 178.5
[M-H]- 295.19282 179.5
[M+Na-2H]- 317.17477 183.7
[M]+ 296.19955 177.0
[M]- 296.20065 177.0
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.

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No patent data available for this compound.