CID 2823093

Maybridge4_002795

Structural Information

Molecular Formula

C₁₁H₁₂N₄O₃

SMILES

C1COCCN1C(=O)NC2=CC3=NON=C3C=C2

InChI

InChI=1S/C11H12N4O3/c16-11(15-3-5-17-6-4-15)12-8-1-2-9-10(7-8)14-18-13-9/h1-2,7H,3-6H2,(H,12,16)

InChIKey

IWBRBVTYBSYUFS-UHFFFAOYSA-N

Compound name

N-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 248.09094 Da
Monoisotopic Mass: 0.0
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]+	249.098216	152.1
[M+Na]+	271.080158	159.5
[M-H]-	247.083664	156.8
[M+NH4]+	266.124763	164.5
[M+K]+	287.054098	158.9
[M+H-H2O]+	231.088200	142.7
[M+HCOO]-	293.089141	170.1
[M+CH3COO]-	307.104791	163.6
[M+Na-2H]-	269.065606	159.5
[M]+	248.09039142	152.0
[M]-	248.09148858	152.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.