CID 119667

Oxazidione

Structural Information

Molecular Formula

C₂₀H₁₉NO₃

SMILES

C1COCCN1CC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19NO3/c22-18-16-8-4-5-9-17(16)19(23)20(18,15-6-2-1-3-7-15)14-21-10-12-24-13-11-21/h1-9H,10-14H2

InChIKey

YYRYCTNXXHOENE-UHFFFAOYSA-N

Compound name

2-(morpholin-4-ylmethyl)-2-phenylindene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 495
Patents: 321.1365 Da
Monoisotopic Mass: 2.6
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]+	322.14378	175.3
[M+Na]+	344.12572	182.2
[M-H]-	320.12922	184.7
[M+NH4]+	339.17032	190.9
[M+K]+	360.09966	178.1
[M+H-H2O]+	304.13376	166.1
[M+HCOO]-	366.13470	192.5
[M+CH3COO]-	380.15035	186.1
[M+Na-2H]-	342.11117	178.0
[M]+	321.13595	173.0
[M]-	321.13705	173.0

Literature stripe

literature stripe

Patent stripe

patents stripe