CID 3068642

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

Structural Information

Molecular Formula
C20H24N2O
SMILES
CN(C)CCC1CC2=CC=CC=C2C(=N1)C3=CC(=CC=C3)OC
InChI
InChI=1S/C20H24N2O/c1-22(2)12-11-17-13-15-7-4-5-10-19(15)20(21-17)16-8-6-9-18(14-16)23-3/h4-10,14,17H,11-13H2,1-3H3
InChIKey
JKIQQAZKYFXCGT-UHFFFAOYSA-N
Compound name
2-[1-(3-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]+ 309.19615 175.6
[M+Na]+ 331.17809 181.8
[M-H]- 307.18159 182.5
[M+NH4]+ 326.22269 190.3
[M+K]+ 347.15203 177.6
[M+H-H2O]+ 291.18613 165.6
[M+HCOO]- 353.18707 196.5
[M+CH3COO]- 367.20272 214.2
[M+Na-2H]- 329.16354 180.0
[M]+ 308.18832 177.4
[M]- 308.18942 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.