CID 135417382

1,3-indandione, 2-(((2-morpholinoethyl)amino)methylene)-, hydrochloride

Structural Information

Molecular Formula

C₁₆H₁₈N₂O₃

SMILES

C1COCCN1CCN=CC2=C(C3=CC=CC=C3C2=O)O

InChI

InChI=1S/C16H18N2O3/c19-15-12-3-1-2-4-13(12)16(20)14(15)11-17-5-6-18-7-9-21-10-8-18/h1-4,11,19H,5-10H2

InChIKey

PHJKZVXWGTUNPK-UHFFFAOYSA-N

Compound name

3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)inden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 286.13174 Da
Monoisotopic Mass: 0.7
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]+	287.139016	165.1
[M+Na]+	309.120958	171.5
[M-H]-	285.124464	171.5
[M+NH4]+	304.165563	180.5
[M+K]+	325.094898	168.4
[M+H-H2O]+	269.129000	157.0
[M+HCOO]-	331.129941	184.9
[M+CH3COO]-	345.145591	201.7
[M+Na-2H]-	307.106406	168.7
[M]+	286.13119142	164.5
[M]-	286.13228858	164.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.