CID 301838

Alpha-prenyl-alpha-(2-(1-pyrrolidinyl)ethyl)-1-naphthylacetonitrile hydrochloride

Structural Information

Molecular Formula
C23H28N2
SMILES
CC(=CCC(CCN1CCCC1)(C#N)C2=CC=CC3=CC=CC=C32)C
InChI
InChI=1S/C23H28N2/c1-19(2)12-13-23(18-24,14-17-25-15-5-6-16-25)22-11-7-9-20-8-3-4-10-21(20)22/h3-4,7-12H,5-6,13-17H2,1-2H3
InChIKey
HEUCQMKPLIZSCL-UHFFFAOYSA-N
Compound name
5-methyl-2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)hex-4-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.22525 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.23253 190.3
[M+Na]+ 355.21447 196.8
[M-H]- 331.21797 193.3
[M+NH4]+ 350.25907 203.3
[M+K]+ 371.18841 187.4
[M+H-H2O]+ 315.22251 175.0
[M+HCOO]- 377.22345 202.4
[M+CH3COO]- 391.23910 220.7
[M+Na-2H]- 353.19992 189.9
[M]+ 332.22470 182.8
[M]- 332.22580 182.8
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.