CID 213818

Brn 0755882

Structural Information

Molecular Formula

C₁₆H₁₃ClN₂O

SMILES

C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC(=CC=C4)Cl)O

InChI

InChI=1S/C16H13ClN2O/c17-12-5-3-4-11(10-12)16(20)14-7-2-1-6-13(14)15-18-8-9-19(15)16/h1-7,10,20H,8-9H2

InChIKey

OYWHYTUIHQDEED-UHFFFAOYSA-N

Compound name

5-(3-chlorophenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 284.07166 Da
Monoisotopic Mass: 2.2
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]+	285.07894	164.7
[M+Na]+	307.06088	176.2
[M-H]-	283.06438	170.1
[M+NH4]+	302.10548	185.7
[M+K]+	323.03482	168.9
[M+H-H2O]+	267.06892	157.2
[M+HCOO]-	329.06986	179.6
[M+CH3COO]-	343.08551	176.9
[M+Na-2H]-	305.04633	168.3
[M]+	284.07111	166.4
[M]-	284.07221	166.4

Literature stripe

literature stripe

Patent stripe

patents stripe