CID 3068658

3-isoquinolineethanamine, 3,4-dihydro-1-cyclohexyl-n,n-dimethyl-, hydrochloride, hydrate (2:4:3)

Structural Information

Molecular Formula
C19H28N2
SMILES
CN(C)CCC1CC2=CC=CC=C2C(=N1)C3CCCCC3
InChI
InChI=1S/C19H28N2/c1-21(2)13-12-17-14-16-10-6-7-11-18(16)19(20-17)15-8-4-3-5-9-15/h6-7,10-11,15,17H,3-5,8-9,12-14H2,1-2H3
InChIKey
NHNZCAAKPTWHQS-UHFFFAOYSA-N
Compound name
2-(1-cyclohexyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.22525 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.23253 171.7
[M+Na]+ 307.21447 184.5
[M+NH4]+ 302.25907 181.6
[M+K]+ 323.18841 175.3
[M-H]- 283.21797 178.0
[M+Na-2H]- 305.19992 179.1
[M]+ 284.22470 175.4
[M]- 284.22580 175.4
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.