CID 3059129

N-(1-benzylpiperidin-4-yl)pyrimidin-2-amine

Structural Information

Molecular Formula
C16H20N4
SMILES
C1CN(CCC1NC2=NC=CC=N2)CC3=CC=CC=C3
InChI
InChI=1S/C16H20N4/c1-2-5-14(6-3-1)13-20-11-7-15(8-12-20)19-16-17-9-4-10-18-16/h1-6,9-10,15H,7-8,11-13H2,(H,17,18,19)
InChIKey
OATGOOHGVPUVME-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

268.1688 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17608 165.2
[M+Na]+ 291.15802 179.4
[M+NH4]+ 286.20262 173.5
[M+K]+ 307.13196 170.6
[M-H]- 267.16152 171.2
[M+Na-2H]- 289.14347 175.9
[M]+ 268.16825 168.9
[M]- 268.16935 168.9
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

patents stripe