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]+ 321.23253 185.7
[M+Na]+ 343.21447 192.3
[M-H]- 319.21797 188.8
[M+NH4]+ 338.25907 199.2
[M+K]+ 359.18841 183.7
[M+H-H2O]+ 303.22251 170.5
[M+HCOO]- 365.22345 198.0
[M+CH3COO]- 379.23910 219.3
[M+Na-2H]- 341.19992 185.9
[M]+ 320.22470 178.6
[M]- 320.22580 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.