CID 30434

Brn 1586407

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

CCOC1=CC=C(C=C1)N2COC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H15NO3/c1-2-19-13-9-7-12(8-10-13)17-11-20-15-6-4-3-5-14(15)16(17)18/h3-10H,2,11H2,1H3

InChIKey

JZDNPTVOJHBNIN-UHFFFAOYSA-N

Compound name

3-(4-ethoxyphenyl)-2H-1,3-benzoxazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.1052 Da
Monoisotopic Mass: 3.1
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]+	270.112476	160.1
[M+Na]+	292.094418	168.2
[M-H]-	268.097924	166.9
[M+NH4]+	287.139023	174.7
[M+K]+	308.068358	165.5
[M+H-H2O]+	252.102460	151.2
[M+HCOO]-	314.103401	179.2
[M+CH3COO]-	328.119051	172.1
[M+Na-2H]-	290.079866	166.8
[M]+	269.10465142	161.5
[M]-	269.10574858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.