CID 3044196

Brn 0684968

Structural Information

Molecular Formula

C₁₇H₁₅ClN₂O

SMILES

C1CN2C(=N1)C3=CC=CC=C3CC2(C4=CC=CC=C4Cl)O

InChI

InChI=1S/C17H15ClN2O/c18-15-8-4-3-7-14(15)17(21)11-12-5-1-2-6-13(12)16-19-9-10-20(16)17/h1-8,21H,9-11H2

InChIKey

UHCJZTKRADXJBR-UHFFFAOYSA-N

Compound name

5-(2-chlorophenyl)-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: 298.08728 Da
Monoisotopic Mass: 2.5
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]+	299.09456	168.3
[M+Na]+	321.07650	178.5
[M-H]-	297.08000	172.8
[M+NH4]+	316.12110	186.7
[M+K]+	337.05044	170.8
[M+H-H2O]+	281.08454	159.6
[M+HCOO]-	343.08548	180.5
[M+CH3COO]-	357.10113	179.3
[M+Na-2H]-	319.06195	173.4
[M]+	298.08673	168.0
[M]-	298.08783	168.0

Literature stripe

literature stripe

Patent stripe

patents stripe