CID 3068640

3,4-dihydro-n,n-dimethyl-1-(2-methoxyphenyl)-3-isoquinolineethanamine hydrochloride (2:3)

Structural Information

Molecular Formula
C20H24N2O
SMILES
CN(C)CCC1CC2=CC=CC=C2C(=N1)C3=CC=CC=C3OC
InChI
InChI=1S/C20H24N2O/c1-22(2)13-12-16-14-15-8-4-5-9-17(15)20(21-16)18-10-6-7-11-19(18)23-3/h4-11,16H,12-14H2,1-3H3
InChIKey
XHBDCDJYKSEAHR-UHFFFAOYSA-N
Compound name
2-[1-(2-methoxyphenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.18887 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.196146 175.6
[M+Na]+ 331.178088 181.8
[M-H]- 307.181594 182.5
[M+NH4]+ 326.222693 190.3
[M+K]+ 347.152028 177.6
[M+H-H2O]+ 291.186130 165.6
[M+HCOO]- 353.187071 196.5
[M+CH3COO]- 367.202721 214.2
[M+Na-2H]- 329.163536 180.0
[M]+ 308.18832142 177.4
[M]- 308.18941858 177.4
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.