CID 3042633

60151-19-1

Structural Information

Molecular Formula

C₁₆H₁₅N₃O

SMILES

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

InChI

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

InChIKey

BIFCBKSJQUDNEM-UHFFFAOYSA-N

Compound name

5-pyridin-3-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	161.9
[M+Na]+	288.11074	176.9
[M+NH4]+	283.15534	172.5
[M+K]+	304.08468	168.5
[M-H]-	264.11424	165.6
[M+Na-2H]-	286.09619	170.7
[M]+	265.12097	165.3
[M]-	265.12207	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe