CID 2766326

398473-34-2

Structural Information

Molecular Formula
C20H32N2O
SMILES
C1CCN(CC1)CCCOC2=CC=C(C=C2)CN3CCCCC3
InChI
InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
InChIKey
PTKHFRNHJULJKT-UHFFFAOYSA-N
Compound name
1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

39
References

249
Patents

316.25146 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.25874 183.3
[M+Na]+ 339.24068 194.9
[M+NH4]+ 334.28528 191.5
[M+K]+ 355.21462 185.6
[M-H]- 315.24418 188.7
[M+Na-2H]- 337.22613 190.4
[M]+ 316.25091 186.4
[M]- 316.25201 186.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe