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]+ 298.180156 171.7
[M+Na]+ 320.162098 178.0
[M-H]- 296.165604 177.1
[M+NH4]+ 315.206703 186.5
[M+K]+ 336.136038 173.6
[M+H-H2O]+ 280.170140 162.2
[M+HCOO]- 342.171081 190.3
[M+CH3COO]- 356.186731 205.4
[M+Na-2H]- 318.147546 176.0
[M]+ 297.17233142 172.7
[M]- 297.17342858 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.