CID 191408

1-benzyl-4-phenylpiperidine-4-carbonitrile

Structural Information

Molecular Formula
C19H20N2
SMILES
C1CN(CCC1(C#N)C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H20N2/c20-16-19(18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17/h1-10H,11-15H2
InChIKey
AUBONLVMDCVPQE-UHFFFAOYSA-N
Compound name
1-benzyl-4-phenylpiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

163
Patents

276.16266 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16994 171.2
[M+Na]+ 299.15188 185.5
[M+NH4]+ 294.19648 178.4
[M+K]+ 315.12582 171.0
[M-H]- 275.15538 170.3
[M+Na-2H]- 297.13733 179.8
[M]+ 276.16211 172.5
[M]- 276.16321 172.5
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