CID 47647

65492-86-6

Structural Information

Molecular Formula
C18H22N2O2
SMILES
C[C@H]1C2=CC(=C(C=C2CCN1C3=CC=C(C=C3)N)OC)OC
InChI
InChI=1S/C18H22N2O2/c1-12-16-11-18(22-3)17(21-2)10-13(16)8-9-20(12)15-6-4-14(19)5-7-15/h4-7,10-12H,8-9,19H2,1-3H3/t12-/m0/s1
InChIKey
NXBGECSRPXMFSH-LBPRGKRZSA-N
Compound name
4-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 171.6
[M+Na]+ 321.15734 186.0
[M+NH4]+ 316.20194 180.1
[M+K]+ 337.13128 178.0
[M-H]- 297.16084 176.9
[M+Na-2H]- 319.14279 178.6
[M]+ 298.16757 175.2
[M]- 298.16867 175.2
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.