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]+ 321.232526 183.8
[M+Na]+ 343.214468 189.4
[M-H]- 319.217974 186.5
[M+NH4]+ 338.259073 195.5
[M+K]+ 359.188408 181.0
[M+H-H2O]+ 303.222510 168.4
[M+HCOO]- 365.223451 194.1
[M+CH3COO]- 379.239101 219.8
[M+Na-2H]- 341.199916 185.7
[M]+ 320.22470142 174.7
[M]- 320.22579858 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.