CID 29084

18464-48-7

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₃

SMILES

CC1C2=CC=CC=C2OC(=O)N1CC(=O)N

InChI

InChI=1S/C11H12N2O3/c1-7-8-4-2-3-5-9(8)16-11(15)13(7)6-10(12)14/h2-5,7H,6H2,1H3,(H2,12,14)

InChIKey

HFHZHLULFFDDOA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.0848 Da
Monoisotopic Mass: 0.6
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]+	221.09208	146.9
[M+Na]+	243.07402	155.1
[M-H]-	219.07752	150.4
[M+NH4]+	238.11862	163.4
[M+K]+	259.04796	153.6
[M+H-H2O]+	203.08206	139.9
[M+HCOO]-	265.08300	166.0
[M+CH3COO]-	279.09865	191.5
[M+Na-2H]-	241.05947	152.2
[M]+	220.08425	146.4
[M]-	220.08535	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe