CID 111223

6517-69-7

Structural Information

Molecular Formula
C20H20N2
SMILES
C1CN(CCC1=C(C#N)C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C20H20N2/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/h1-10H,11-14,16H2
InChIKey
FYLYJFHTUXMPDE-UHFFFAOYSA-N
Compound name
2-(1-benzylpiperidin-4-ylidene)-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

26
Patents

288.16266 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.169936 173.1
[M+Na]+ 311.151878 179.5
[M-H]- 287.155384 177.7
[M+NH4]+ 306.196483 184.5
[M+K]+ 327.125818 170.6
[M+H-H2O]+ 271.159920 156.8
[M+HCOO]- 333.160861 186.9
[M+CH3COO]- 347.176511 180.8
[M+Na-2H]- 309.137326 174.7
[M]+ 288.16211142 161.8
[M]- 288.16320858 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