CID 3059144

Pyrimidine, 2-(n-(1-benzyl-4-piperidyl)methylamino)-

Structural Information

Molecular Formula
C17H22N4
SMILES
CN(C1CCN(CC1)CC2=CC=CC=C2)C3=NC=CC=N3
InChI
InChI=1S/C17H22N4/c1-20(17-18-10-5-11-19-17)16-8-12-21(13-9-16)14-15-6-3-2-4-7-15/h2-7,10-11,16H,8-9,12-14H2,1H3
InChIKey
CLQAMFQAIHXLRV-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-N-methylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.18445 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.19173 168.8
[M+Na]+ 305.17367 182.9
[M+NH4]+ 300.21827 177.1
[M+K]+ 321.14761 174.5
[M-H]- 281.17717 175.0
[M+Na-2H]- 303.15912 179.5
[M]+ 282.18390 172.6
[M]- 282.18500 172.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.