CID 466108

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

Structural Information

Molecular Formula
C18H21NO
SMILES
COC1=CC=CC(=C1)CCC2CCCC3=C2C=CN=C3
InChI
InChI=1S/C18H21NO/c1-20-17-7-2-4-14(12-17)8-9-15-5-3-6-16-13-19-11-10-18(15)16/h2,4,7,10-13,15H,3,5-6,8-9H2,1H3
InChIKey
XOSXOSYRARLTMM-UHFFFAOYSA-N
Compound name
5-[2-(3-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]+ 268.169596 163.6
[M+Na]+ 290.151538 169.6
[M-H]- 266.155044 168.8
[M+NH4]+ 285.196143 179.4
[M+K]+ 306.125478 164.7
[M+H-H2O]+ 250.159580 154.4
[M+HCOO]- 312.160521 182.4
[M+CH3COO]- 326.176171 174.4
[M+Na-2H]- 288.136986 169.1
[M]+ 267.16177142 162.4
[M]- 267.16286858 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.