CID 3068698

3,4-dihydro-6,7-dimethoxy-n,n-dimethyl-1-phenyl-3-isoquinolineethanamine ethanedioate (1:2)

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CN(C)CCC1CC2=CC(=C(C=C2C(=N1)C3=CC=CC=C3)OC)OC
InChI
InChI=1S/C21H26N2O2/c1-23(2)11-10-17-12-16-13-19(24-3)20(25-4)14-18(16)21(22-17)15-8-6-5-7-9-15/h5-9,13-14,17H,10-12H2,1-4H3
InChIKey
RECOAPLIJYXYFI-UHFFFAOYSA-N
Compound name
2-(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 183.7
[M+Na]+ 361.18865 190.1
[M-H]- 337.19215 190.8
[M+NH4]+ 356.23325 197.3
[M+K]+ 377.16259 186.5
[M+H-H2O]+ 321.19669 173.4
[M+HCOO]- 383.19763 204.3
[M+CH3COO]- 397.21328 220.5
[M+Na-2H]- 359.17410 186.8
[M]+ 338.19888 187.7
[M]- 338.19998 187.7
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.