CID 17397

2572-77-2

Structural Information

Molecular Formula
C22H28N2
SMILES
CC(C)C(CCN1CCCCC1)(C#N)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C22H28N2/c1-18(2)22(17-23,13-16-24-14-6-3-7-15-24)21-12-8-10-19-9-4-5-11-20(19)21/h4-5,8-12,18H,3,6-7,13-16H2,1-2H3
InChIKey
JWUCNSPLOIVAGH-UHFFFAOYSA-N
Compound name
3-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.22525 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.23253 183.8
[M+Na]+ 343.21447 189.4
[M-H]- 319.21797 186.5
[M+NH4]+ 338.25907 195.5
[M+K]+ 359.18841 181.0
[M+H-H2O]+ 303.22251 168.4
[M+HCOO]- 365.22345 194.1
[M+CH3COO]- 379.23910 219.8
[M+Na-2H]- 341.19992 185.7
[M]+ 320.22470 174.7
[M]- 320.22580 174.7
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

No patent data available for this compound.