CID 39775

1-naphthaleneacetonitrile, alpha-(2-dimethylaminoethyl)-alpha-(3-methyl-2-butenyl)-, hydrochloride

Structural Information

Molecular Formula
C21H26N2
SMILES
CC(=CCC(CCN(C)C)(C#N)C1=CC=CC2=CC=CC=C21)C
InChI
InChI=1S/C21H26N2/c1-17(2)12-13-21(16-22,14-15-23(3)4)20-11-7-9-18-8-5-6-10-19(18)20/h5-12H,13-15H2,1-4H3
InChIKey
GEYZJEIXLLVQFM-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-5-methyl-2-naphthalen-1-ylhex-4-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.2096 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 180.7
[M+Na]+ 329.19882 192.0
[M+NH4]+ 324.24342 185.4
[M+K]+ 345.17276 180.7
[M-H]- 305.20232 176.6
[M+Na-2H]- 327.18427 183.7
[M]+ 306.20905 180.4
[M]- 306.21015 180.4
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.