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

53
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 154.1
[M+Na]+ 262.12023 159.7
[M-H]- 238.12373 158.0
[M+NH4]+ 257.16483 170.1
[M+K]+ 278.09417 154.3
[M+H-H2O]+ 222.12827 145.5
[M+HCOO]- 284.12921 172.1
[M+CH3COO]- 298.14486 164.8
[M+Na-2H]- 260.10568 161.1
[M]+ 239.13046 150.1
[M]- 239.13156 150.1
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