CID 3079746

1-isoquinolineethanamine, 3,4-dihydro-n-cyclohexyl-3,3-dimethyl-, dihydrochloride

Structural Information

Molecular Formula
C19H28N2
SMILES
CC1(CC2=CC=CC=C2C(=N1)CCNC3CCCCC3)C
InChI
InChI=1S/C19H28N2/c1-19(2)14-15-8-6-7-11-17(15)18(21-19)12-13-20-16-9-4-3-5-10-16/h6-8,11,16,20H,3-5,9-10,12-14H2,1-2H3
InChIKey
KFULSWMSLXKRBV-UHFFFAOYSA-N
Compound name
N-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.22525 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.23253 170.9
[M+Na]+ 307.21447 174.6
[M-H]- 283.21797 175.3
[M+NH4]+ 302.25907 187.6
[M+K]+ 323.18841 169.5
[M+H-H2O]+ 267.22251 161.5
[M+HCOO]- 329.22345 187.2
[M+CH3COO]- 343.23910 180.1
[M+Na-2H]- 305.19992 175.2
[M]+ 284.22470 165.3
[M]- 284.22580 165.3
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.