CID 17807

2828-06-0

Structural Information

Molecular Formula
C21H26N2
SMILES
CCC(CCN1CCCCC1)(C#N)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H26N2/c1-2-21(17-22,13-16-23-14-6-3-7-15-23)20-12-8-10-18-9-4-5-11-19(18)20/h4-5,8-12H,2-3,6-7,13-16H2,1H3
InChIKey
OBLJBUXADXHZIZ-UHFFFAOYSA-N
Compound name
2-ethyl-2-naphthalen-1-yl-4-piperidin-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

306.2096 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 182.4
[M+Na]+ 329.19882 194.9
[M+NH4]+ 324.24342 187.9
[M+K]+ 345.17276 182.4
[M-H]- 305.20232 179.4
[M+Na-2H]- 327.18427 186.7
[M]+ 306.20905 182.7
[M]- 306.21015 182.7
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

patents stripe