CID 3044191

56882-45-2

Structural Information

Molecular Formula

C₁₇H₁₆N₂O

SMILES

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

InChI

InChI=1S/C17H16N2O/c20-17(14-7-2-1-3-8-14)12-13-6-4-5-9-15(13)16-18-10-11-19(16)17/h1-9,20H,10-12H2

InChIKey

YEQDDLZHZCNPFQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 264.12625 Da
Monoisotopic Mass: 1.9
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]+	265.13353	162.0
[M+Na]+	287.11547	177.0
[M+NH4]+	282.16007	173.3
[M+K]+	303.08941	168.1
[M-H]-	263.11897	166.5
[M+Na-2H]-	285.10092	171.0
[M]+	264.12570	165.7
[M]-	264.12680	165.7

Literature stripe

literature stripe

Patent stripe

patents stripe