CID 3068614

3,4-dihydro-6,7-dimethoxy-n,n-dimethyl-1-phenyl-3-isoquinolinemethanamine

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CN(C)CC1CC2=CC(=C(C=C2C(=N1)C3=CC=CC=C3)OC)OC
InChI
InChI=1S/C20H24N2O2/c1-22(2)13-16-10-15-11-18(23-3)19(24-4)12-17(15)20(21-16)14-8-6-5-7-9-14/h5-9,11-12,16H,10,13H2,1-4H3
InChIKey
SKMYOYDFGSNIFF-UHFFFAOYSA-N
Compound name
1-(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.18378 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 179.0
[M+Na]+ 347.17300 186.0
[M-H]- 323.17650 186.3
[M+NH4]+ 342.21760 193.3
[M+K]+ 363.14694 182.6
[M+H-H2O]+ 307.18104 169.0
[M+HCOO]- 369.18198 200.1
[M+CH3COO]- 383.19763 217.5
[M+Na-2H]- 345.15845 182.8
[M]+ 324.18323 182.7
[M]- 324.18433 182.7
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.