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]+ 299.175396 172.0
[M+Na]+ 321.157338 179.7
[M-H]- 297.160844 177.8
[M+NH4]+ 316.201943 186.8
[M+K]+ 337.131278 175.3
[M+H-H2O]+ 281.165380 162.9
[M+HCOO]- 343.166321 191.2
[M+CH3COO]- 357.181971 209.3
[M+Na-2H]- 319.142786 174.8
[M]+ 298.16757142 171.9
[M]- 298.16866858 171.9
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.