CID 301837

Alpha-(2-piperidinoethyl)-alpha-prenyl-1-naphthylacetonitrile hydrochloride

Structural Information

Molecular Formula
C24H30N2
SMILES
CC(=CCC(CCN1CCCCC1)(C#N)C2=CC=CC3=CC=CC=C32)C
InChI
InChI=1S/C24H30N2/c1-20(2)13-14-24(19-25,15-18-26-16-6-3-7-17-26)23-12-8-10-21-9-4-5-11-22(21)23/h4-5,8-13H,3,6-7,14-18H2,1-2H3
InChIKey
CALIREOTOJOLDK-UHFFFAOYSA-N
Compound name
5-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)hex-4-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.2409 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.24818 193.6
[M+Na]+ 369.23012 205.2
[M+NH4]+ 364.27472 198.2
[M+K]+ 385.20406 192.7
[M-H]- 345.23362 190.1
[M+Na-2H]- 367.21557 196.7
[M]+ 346.24035 193.5
[M]- 346.24145 193.5
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.