CID 3035672

4-phenyl-1-(4-phenylbutyl)piperidine

Structural Information

Molecular Formula
C21H27N
SMILES
C1CN(CCC1C2=CC=CC=C2)CCCCC3=CC=CC=C3
InChI
InChI=1S/C21H27N/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-18-22)20-12-5-2-6-13-20/h1-6,9-10,12-13,21H,7-8,11,14-18H2
InChIKey
HQGDPZPNAXRCSA-UHFFFAOYSA-N
Compound name
4-phenyl-1-(4-phenylbutyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

142
Patents

293.21436 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.221636 173.6
[M+Na]+ 316.203578 176.2
[M-H]- 292.207084 179.7
[M+NH4]+ 311.248183 186.5
[M+K]+ 332.177518 170.2
[M+H-H2O]+ 276.211620 163.0
[M+HCOO]- 338.212561 191.1
[M+CH3COO]- 352.228211 182.5
[M+Na-2H]- 314.189026 176.4
[M]+ 293.21381142 168.7
[M]- 293.21490858 168.7
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