CID 3069488

84775-00-8

Structural Information

Molecular Formula

C₁₇H₁₅ClN₂O

SMILES

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

InChI

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

InChIKey

VCXGTSVXQNAKCI-UHFFFAOYSA-N

Compound name

5-(3-chlorophenyl)-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: 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]+	299.094556	168.3
[M+Na]+	321.076498	178.5
[M-H]-	297.080004	172.8
[M+NH4]+	316.121103	186.7
[M+K]+	337.050438	170.8
[M+H-H2O]+	281.084540	159.6
[M+HCOO]-	343.085481	180.5
[M+CH3COO]-	357.101131	179.3
[M+Na-2H]-	319.061946	173.4
[M]+	298.08673142	168.0
[M]-	298.08782858	168.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.