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

50
Patents

239.13101 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.138286 154.1
[M+Na]+ 262.120228 159.7
[M-H]- 238.123734 158.0
[M+NH4]+ 257.164833 170.1
[M+K]+ 278.094168 154.3
[M+H-H2O]+ 222.128270 145.5
[M+HCOO]- 284.129211 172.1
[M+CH3COO]- 298.144861 164.8
[M+Na-2H]- 260.105676 161.1
[M]+ 239.13046142 150.1
[M]- 239.13155858 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