CID 466106

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

Structural Information

Molecular Formula
C18H21NO
SMILES
COC1=CC=C(C=C1)CCC2CCCC3=C2C=CN=C3
InChI
InChI=1S/C18H21NO/c1-20-17-9-6-14(7-10-17)5-8-15-3-2-4-16-13-19-12-11-18(15)16/h6-7,9-13,15H,2-5,8H2,1H3
InChIKey
SMPJSPLWJXKIAA-UHFFFAOYSA-N
Compound name
5-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16232 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 163.6
[M+Na]+ 290.15154 169.6
[M-H]- 266.15504 168.8
[M+NH4]+ 285.19614 179.4
[M+K]+ 306.12548 164.7
[M+H-H2O]+ 250.15958 154.4
[M+HCOO]- 312.16052 182.4
[M+CH3COO]- 326.17617 174.4
[M+Na-2H]- 288.13699 169.1
[M]+ 267.16177 162.4
[M]- 267.16287 162.4
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.