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]+ 285.23253 170.7
[M+Na]+ 307.21447 173.4
[M-H]- 283.21797 176.2
[M+NH4]+ 302.25907 185.9
[M+K]+ 323.18841 169.4
[M+H-H2O]+ 267.22251 160.9
[M+HCOO]- 329.22345 187.4
[M+CH3COO]- 343.23910 209.1
[M+Na-2H]- 305.19992 173.3
[M]+ 284.22470 166.0
[M]- 284.22580 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.