CID 10659602

193682-76-7

Structural Information

Molecular Formula

C₁₇H₁₉NO₂

SMILES

C1CNC(C2=C1C=C(C=C2)O)COCC3=CC=CC=C3

InChI

InChI=1S/C17H19NO2/c19-15-6-7-16-14(10-15)8-9-18-17(16)12-20-11-13-4-2-1-3-5-13/h1-7,10,17-19H,8-9,11-12H2

InChIKey

MANVAJPPBZRENS-UHFFFAOYSA-N

Compound name

1-(phenylmethoxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 269.14157 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	270.148846	162.3
[M+Na]+	292.130788	167.7
[M-H]-	268.134294	164.9
[M+NH4]+	287.175393	176.5
[M+K]+	308.104728	162.0
[M+H-H2O]+	252.138830	153.8
[M+HCOO]-	314.139771	178.6
[M+CH3COO]-	328.155421	172.1
[M+Na-2H]-	290.116236	167.6
[M]+	269.14102142	158.6
[M]-	269.14211858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe