CID 98062

Dtxsid901226557

Structural Information

Molecular Formula
C20H22N2
SMILES
C1CN(CCC1C(C#N)C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C20H22N2/c21-15-20(18-9-5-2-6-10-18)19-11-13-22(14-12-19)16-17-7-3-1-4-8-17/h1-10,19-20H,11-14,16H2
InChIKey
MHFBISFDLRWTLQ-UHFFFAOYSA-N
Compound name
2-(1-benzylpiperidin-4-yl)-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

290.17828 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18556 172.4
[M+Na]+ 313.16750 178.4
[M-H]- 289.17100 176.9
[M+NH4]+ 308.21210 183.7
[M+K]+ 329.14144 170.1
[M+H-H2O]+ 273.17554 156.0
[M+HCOO]- 335.17648 186.0
[M+CH3COO]- 349.19213 180.1
[M+Na-2H]- 311.15295 174.2
[M]+ 290.17773 161.8
[M]- 290.17883 161.8
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