CID 3079738

Ethanamine, n,n-diethyl-2-(2-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)ethoxy)-, dihydrochloride

Structural Information

Molecular Formula
C19H30N2O
SMILES
CCN(CC)CCOCCC1=NC(CC2=CC=CC=C21)(C)C
InChI
InChI=1S/C19H30N2O/c1-5-21(6-2)12-14-22-13-11-18-17-10-8-7-9-16(17)15-19(3,4)20-18/h7-10H,5-6,11-15H2,1-4H3
InChIKey
FEXKHYSCTGXRPD-UHFFFAOYSA-N
Compound name
2-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethoxy]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.2358 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.24308 176.4
[M+Na]+ 325.22502 181.8
[M-H]- 301.22852 179.8
[M+NH4]+ 320.26962 193.8
[M+K]+ 341.19896 178.9
[M+H-H2O]+ 285.23306 167.9
[M+HCOO]- 347.23400 196.4
[M+CH3COO]- 361.24965 213.8
[M+Na-2H]- 323.21047 180.7
[M]+ 302.23525 180.6
[M]- 302.23635 180.6
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.