CID 466107

5-[2-(3,4-dimethoxyphenyl)ethyl]-5,6,7,8-tetrahydroisoquinoline

Structural Information

Molecular Formula
C19H23NO2
SMILES
COC1=C(C=C(C=C1)CCC2CCCC3=C2C=CN=C3)OC
InChI
InChI=1S/C19H23NO2/c1-21-18-9-7-14(12-19(18)22-2)6-8-15-4-3-5-16-13-20-11-10-17(15)16/h7,9-13,15H,3-6,8H2,1-2H3
InChIKey
ZNPLAGHYCHJLDA-UHFFFAOYSA-N
Compound name
5-[2-(3,4-dimethoxyphenyl)ethyl]-5,6,7,8-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 171.7
[M+Na]+ 320.16210 178.0
[M-H]- 296.16560 177.1
[M+NH4]+ 315.20670 186.5
[M+K]+ 336.13604 173.6
[M+H-H2O]+ 280.17014 162.2
[M+HCOO]- 342.17108 190.3
[M+CH3COO]- 356.18673 205.4
[M+Na-2H]- 318.14755 176.0
[M]+ 297.17233 172.7
[M]- 297.17343 172.7
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.