CID 3068658

83658-50-8

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]+ 285.232526 170.7
[M+Na]+ 307.214468 173.4
[M-H]- 283.217974 176.2
[M+NH4]+ 302.259073 185.9
[M+K]+ 323.188408 169.4
[M+H-H2O]+ 267.222510 160.9
[M+HCOO]- 329.223451 187.4
[M+CH3COO]- 343.239101 209.1
[M+Na-2H]- 305.199916 173.3
[M]+ 284.22470142 166.0
[M]- 284.22579858 166.0
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.