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]+ 285.232526 170.9
[M+Na]+ 307.214468 174.6
[M-H]- 283.217974 175.3
[M+NH4]+ 302.259073 187.6
[M+K]+ 323.188408 169.5
[M+H-H2O]+ 267.222510 161.5
[M+HCOO]- 329.223451 187.2
[M+CH3COO]- 343.239101 180.1
[M+Na-2H]- 305.199916 175.2
[M]+ 284.22470142 165.3
[M]- 284.22579858 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.