CID 3044193

56882-47-4

Structural Information

Molecular Formula

C₁₈H₁₈N₂O₂

SMILES

COC1=CC=C(C=C1)C2(CC3=CC=CC=C3C4=NCCN42)O

InChI

InChI=1S/C18H18N2O2/c1-22-15-8-6-14(7-9-15)18(21)12-13-4-2-3-5-16(13)17-19-10-11-20(17)18/h2-9,21H,10-12H2,1H3

InChIKey

JAHZSXVGNHTXMR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 294.13684 Da
Monoisotopic Mass: 1.8
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]+	295.14412	169.2
[M+Na]+	317.12606	177.9
[M-H]-	293.12956	173.9
[M+NH4]+	312.17066	186.8
[M+K]+	333.10000	172.2
[M+H-H2O]+	277.13410	160.0
[M+HCOO]-	339.13504	185.9
[M+CH3COO]-	353.15069	180.0
[M+Na-2H]-	315.11151	174.5
[M]+	294.13629	168.5
[M]-	294.13739	168.5

Literature stripe

literature stripe

Patent stripe

patents stripe