CID 3056445

73771-87-6

Structural Information

Molecular Formula
C20H23N2
SMILES
C[N+]1(CCC(CC1)(C#N)C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C20H23N2/c1-22(16-18-8-4-2-5-9-18)14-12-20(17-21,13-15-22)19-10-6-3-7-11-19/h2-11H,12-16H2,1H3/q+1
InChIKey
VGFCYNCGNIVFEF-UHFFFAOYSA-N
Compound name
1-benzyl-1-methyl-4-phenylpiperidin-1-ium-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.18613 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19341 170.5
[M+Na]+ 314.17535 186.6
[M+NH4]+ 309.21995 180.0
[M+K]+ 330.14929 171.0
[M-H]- 290.17885 171.3
[M+Na-2H]- 312.16080 181.4
[M]+ 291.18558 173.1
[M]- 291.18668 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.