CID 3068596

Brn 4483903

Structural Information

Molecular Formula

C₁₈H₁₈N₂O

SMILES

C1CN2C(=N1)C3=CC=CC=C3CC2(CC4=CC=CC=C4)O

InChI

InChI=1S/C18H18N2O/c21-18(12-14-6-2-1-3-7-14)13-15-8-4-5-9-16(15)17-19-10-11-20(17)18/h1-9,21H,10-13H2

InChIKey

GARMCNUKLYBZIW-UHFFFAOYSA-N

Compound name

5-benzyl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 278.1419 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]+	279.149176	165.9
[M+Na]+	301.131118	173.9
[M-H]-	277.134624	170.1
[M+NH4]+	296.175723	183.9
[M+K]+	317.105058	167.4
[M+H-H2O]+	261.139160	156.4
[M+HCOO]-	323.140101	182.4
[M+CH3COO]-	337.155751	176.5
[M+Na-2H]-	299.116566	171.6
[M]+	278.14135142	163.3
[M]-	278.14244858	163.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.