CID 3044192

Brn 0677662

Structural Information

Molecular Formula

C₁₈H₁₈N₂O

SMILES

CC1=CC=C(C=C1)C2(CC3=CC=CC=C3C4=NCCN42)O

InChI

InChI=1S/C18H18N2O/c1-13-6-8-15(9-7-13)18(21)12-14-4-2-3-5-16(14)17-19-10-11-20(17)18/h2-9,21H,10-12H2,1H3

InChIKey

FWCVCAUHZGOSNT-UHFFFAOYSA-N

Compound name

5-(4-methylphenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 278.1419 Da
Monoisotopic Mass: 2.2
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]+	279.14918	166.3
[M+Na]+	301.13112	181.4
[M+NH4]+	296.17572	177.4
[M+K]+	317.10506	172.5
[M-H]-	277.13462	170.9
[M+Na-2H]-	299.11657	174.8
[M]+	278.14135	170.1
[M]-	278.14245	170.1

Literature stripe

literature stripe

Patent stripe

patents stripe