CID 3069487

Brn 6226513

Structural Information

Molecular Formula

C₁₇H₁₅FN₂O

SMILES

C1CN2C(=N1)C3=CC=CC=C3CC2(C4=CC=CC=C4F)O

InChI

InChI=1S/C17H15FN2O/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

RLMXJLHOVPIYRP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 282.11685 Da
Monoisotopic Mass: 2.0
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]+	283.12413	164.7
[M+Na]+	305.10607	174.2
[M-H]-	281.10957	168.2
[M+NH4]+	300.15067	182.9
[M+K]+	321.08001	167.5
[M+H-H2O]+	265.11411	154.8
[M+HCOO]-	327.11505	180.5
[M+CH3COO]-	341.13070	175.5
[M+Na-2H]-	303.09152	169.7
[M]+	282.11630	161.3
[M]-	282.11740	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe