CID 21463014

7-(benzyloxy)-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C16H17NO
SMILES
C1CNCC2=C1C=CC(=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C16H17NO/c1-2-4-13(5-3-1)12-18-16-7-6-14-8-9-17-11-15(14)10-16/h1-7,10,17H,8-9,11-12H2
InChIKey
PTJGGNFFJMNHPL-UHFFFAOYSA-N
Compound name
7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

239.13101 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13829 156.0
[M+Na]+ 262.12023 170.9
[M+NH4]+ 257.16483 165.8
[M+K]+ 278.09417 161.7
[M-H]- 238.12373 161.1
[M+Na-2H]- 260.10568 165.1
[M]+ 239.13046 159.7
[M]- 239.13156 159.7
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

patents stripe