CID 28919

18144-57-5

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₄

SMILES

C1COCCN1C(=O)C2=CC3=C(C=CC(=C3)N)OC2=O

InChI

InChI=1S/C14H14N2O4/c15-10-1-2-12-9(7-10)8-11(14(18)20-12)13(17)16-3-5-19-6-4-16/h1-2,7-8H,3-6,15H2

InChIKey

RZVSOEJLBFOYED-UHFFFAOYSA-N

Compound name

6-amino-3-(morpholine-4-carbonyl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.09537 Da
Monoisotopic Mass: 0.5
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]+	275.102646	160.9
[M+Na]+	297.084588	168.1
[M-H]-	273.088094	167.8
[M+NH4]+	292.129193	173.1
[M+K]+	313.058528	167.1
[M+H-H2O]+	257.092630	152.1
[M+HCOO]-	319.093571	178.0
[M+CH3COO]-	333.109221	172.1
[M+Na-2H]-	295.070036	166.5
[M]+	274.09482142	159.3
[M]-	274.09591858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.