CID 13447918

53877-76-2

Structural Information

Molecular Formula
C17H24N2
SMILES
C1CCN(CC1)C2=CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C17H24N2/c1-3-7-16(8-4-1)15-18-13-9-17(10-14-18)19-11-5-2-6-12-19/h1,3-4,7-9H,2,5-6,10-15H2
InChIKey
ZKYKLXFYSIVSRZ-UHFFFAOYSA-N
Compound name
1-benzyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.19394 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.20122 163.4
[M+Na]+ 279.18316 165.7
[M-H]- 255.18666 168.1
[M+NH4]+ 274.22776 176.3
[M+K]+ 295.15710 160.9
[M+H-H2O]+ 239.19120 152.4
[M+HCOO]- 301.19214 178.1
[M+CH3COO]- 315.20779 172.2
[M+Na-2H]- 277.16861 166.3
[M]+ 256.19339 154.8
[M]- 256.19449 154.8
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