CID 3059129

76167-42-5

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
2
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 163.5
[M+Na]+ 291.15802 167.5
[M-H]- 267.16152 167.5
[M+NH4]+ 286.20262 174.3
[M+K]+ 307.13196 161.9
[M+H-H2O]+ 251.16606 151.6
[M+HCOO]- 313.16700 181.0
[M+CH3COO]- 327.18265 172.5
[M+Na-2H]- 289.14347 169.9
[M]+ 268.16825 157.3
[M]- 268.16935 157.3
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

patents stripe