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

3
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 179.1
[M+Na]+ 329.19882 185.5
[M-H]- 305.20232 181.9
[M+NH4]+ 324.24342 191.4
[M+K]+ 345.17276 176.7
[M+H-H2O]+ 289.20686 163.7
[M+HCOO]- 351.20780 190.6
[M+CH3COO]- 365.22345 216.4
[M+Na-2H]- 327.18427 182.6
[M]+ 306.20905 170.3
[M]- 306.21015 170.3
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