CID 205783

Brn 1135157

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₄

SMILES

COC1=CC=CC2=C1OC(=O)N(C2)CC(=O)N

InChI

InChI=1S/C11H12N2O4/c1-16-8-4-2-3-7-5-13(6-9(12)14)11(15)17-10(7)8/h2-4H,5-6H2,1H3,(H2,12,14)

InChIKey

QLJNTFVCNHYBTB-UHFFFAOYSA-N

Compound name

2-(8-methoxy-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.07971 Da
Monoisotopic Mass: 0.2
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]+	237.086986	149.5
[M+Na]+	259.068928	157.4
[M-H]-	235.072434	153.0
[M+NH4]+	254.113533	165.2
[M+K]+	275.042868	156.6
[M+H-H2O]+	219.076970	142.2
[M+HCOO]-	281.077911	168.7
[M+CH3COO]-	295.093561	193.8
[M+Na-2H]-	257.054376	154.9
[M]+	236.07916142	150.4
[M]-	236.08025858	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.