CID 23160

6699-12-3

Structural Information

Molecular Formula
C22H28N2
SMILES
CC(C)C(CCCN1CCCC1)(C#N)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C22H28N2/c1-18(2)22(17-23,13-8-16-24-14-5-6-15-24)21-12-7-10-19-9-3-4-11-20(19)21/h3-4,7,9-12,18H,5-6,8,13-16H2,1-2H3
InChIKey
SVZYYHKYXSDMQX-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-2-propan-2-yl-5-pyrrolidin-1-ylpentanenitrile
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 185.7
[M+Na]+ 343.214468 192.3
[M-H]- 319.217974 188.8
[M+NH4]+ 338.259073 199.2
[M+K]+ 359.188408 183.7
[M+H-H2O]+ 303.222510 170.5
[M+HCOO]- 365.223451 198.0
[M+CH3COO]- 379.239101 219.3
[M+Na-2H]- 341.199916 185.9
[M]+ 320.22470142 178.6
[M]- 320.22579858 178.6
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.