CID 606690

Desmethylnomifensine

Structural Information

Molecular Formula

C₁₅H₁₆N₂

SMILES

C1C(C2=C(CN1)C(=CC=C2)N)C3=CC=CC=C3

InChI

InChI=1S/C15H16N2/c16-15-8-4-7-12-13(9-17-10-14(12)15)11-5-2-1-3-6-11/h1-8,13,17H,9-10,16H2

InChIKey

WXPTXMBRTPQBEN-UHFFFAOYSA-N

Compound name

4-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 224.13135 Da
Monoisotopic Mass: 2.1
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]+	225.138626	150.2
[M+Na]+	247.120568	156.5
[M-H]-	223.124074	154.1
[M+NH4]+	242.165173	166.6
[M+K]+	263.094508	150.4
[M+H-H2O]+	207.128610	142.1
[M+HCOO]-	269.129551	168.8
[M+CH3COO]-	283.145201	161.1
[M+Na-2H]-	245.106016	156.6
[M]+	224.13080142	143.3
[M]-	224.13189858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe