CID 84665

1h-naphth[2,1-b][1,4]oxazin-2(3h)-one

Structural Information

Molecular Formula

C₁₂H₉NO₂

SMILES

C1C(=O)NC2=C(O1)C=CC3=CC=CC=C32

InChI

InChI=1S/C12H9NO2/c14-11-7-15-10-6-5-8-3-1-2-4-9(8)12(10)13-11/h1-6H,7H2,(H,13,14)

InChIKey

PWEJJSREWZMHGC-UHFFFAOYSA-N

Compound name

1H-benzo[f][1,4]benzoxazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 199.06332 Da
Monoisotopic Mass: 2.1
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]+	200.070596	138.6
[M+Na]+	222.052538	147.4
[M-H]-	198.056044	142.0
[M+NH4]+	217.097143	156.6
[M+K]+	238.026478	144.0
[M+H-H2O]+	182.060580	131.6
[M+HCOO]-	244.061521	155.9
[M+CH3COO]-	258.077171	151.3
[M+Na-2H]-	220.037986	148.5
[M]+	199.06277142	136.5
[M]-	199.06386858	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe