CID 233005

6319-54-6

Structural Information

Molecular Formula

C₁₇H₁₃NO₃

SMILES

C1CC(=O)N(C1=O)C2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C17H13NO3/c19-15-9-10-16(20)18(15)17-11-5-1-3-7-13(11)21-14-8-4-2-6-12(14)17/h1-8,17H,9-10H2

InChIKey

MHWNVIOPDLIRPG-UHFFFAOYSA-N

Compound name

1-(9H-xanthen-9-yl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 279.08954 Da
Monoisotopic Mass: 1.9
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]+	280.09682	161.0
[M+Na]+	302.07876	170.1
[M-H]-	278.08226	169.0
[M+NH4]+	297.12336	178.0
[M+K]+	318.05270	166.1
[M+H-H2O]+	262.08680	153.1
[M+HCOO]-	324.08774	179.0
[M+CH3COO]-	338.10339	173.3
[M+Na-2H]-	300.06421	165.3
[M]+	279.08899	160.6
[M]-	279.09009	160.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.