CID 39790

Alpha-(2-dimethylaminoethyl)-alpha-prenyl-1-naphthylpropionitrile hydrochloride

Structural Information

Molecular Formula
C22H28N2
SMILES
CC(=CCC(CCN(C)C)(CC1=CC=CC2=CC=CC=C21)C#N)C
InChI
InChI=1S/C22H28N2/c1-18(2)12-13-22(17-23,14-15-24(3)4)16-20-10-7-9-19-8-5-6-11-21(19)20/h5-12H,13-16H2,1-4H3
InChIKey
AEPSRGKFFFKPGJ-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-5-methyl-2-(naphthalen-1-ylmethyl)hex-4-enenitrile
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 188.2
[M+Na]+ 343.21447 194.8
[M-H]- 319.21797 191.7
[M+NH4]+ 338.25907 202.1
[M+K]+ 359.18841 188.3
[M+H-H2O]+ 303.22251 174.1
[M+HCOO]- 365.22345 203.8
[M+CH3COO]- 379.23910 226.5
[M+Na-2H]- 341.19992 189.9
[M]+ 320.22470 184.7
[M]- 320.22580 184.7
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.