CID 708162

2-morpholin-4-ylnaphthalene-1,4-dione

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

C1COCCN1C2=CC(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H13NO3/c16-13-9-12(15-5-7-18-8-6-15)14(17)11-4-2-1-3-10(11)13/h1-4,9H,5-8H2

InChIKey

VEHBXPMGNIAHNU-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylnaphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 138
Patents: 243.08954 Da
Monoisotopic Mass: 1.6
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]+	244.09682	152.0
[M+Na]+	266.07876	159.3
[M-H]-	242.08226	158.4
[M+NH4]+	261.12336	167.5
[M+K]+	282.05270	156.8
[M+H-H2O]+	226.08680	143.6
[M+HCOO]-	288.08774	169.2
[M+CH3COO]-	302.10339	163.9
[M+Na-2H]-	264.06421	157.8
[M]+	243.08899	149.2
[M]-	243.09009	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe