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 172.5
[M+Na]+ 319.18932 175.6
[M-H]- 295.19282 177.6
[M+NH4]+ 314.23392 182.7
[M+K]+ 335.16326 171.0
[M+H-H2O]+ 279.19736 160.0
[M+HCOO]- 341.19830 189.8
[M+CH3COO]- 355.21395 181.1
[M+Na-2H]- 317.17477 177.0
[M]+ 296.19955 168.2
[M]- 296.20065 168.2
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.