CID 3042621

60099-37-8

Structural Information

Molecular Formula

C₁₆H₁₅N₃O

SMILES

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

InChI

InChI=1S/C16H15N3O/c20-16(13-5-7-17-8-6-13)11-12-3-1-2-4-14(12)15-18-9-10-19(15)16/h1-8,20H,9-11H2

InChIKey

GMTAFOIKCLRTDD-UHFFFAOYSA-N

Compound name

5-pyridin-4-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 265.12152 Da
Monoisotopic Mass: 0.8
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]+	266.12880	161.4
[M+Na]+	288.11074	170.3
[M-H]-	264.11424	164.6
[M+NH4]+	283.15534	178.6
[M+K]+	304.08468	164.2
[M+H-H2O]+	248.11878	151.4
[M+HCOO]-	310.11972	177.3
[M+CH3COO]-	324.13537	172.1
[M+Na-2H]-	286.09619	168.2
[M]+	265.12097	158.7
[M]-	265.12207	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe