CID 385047

Nsc675968

Structural Information

Molecular Formula

C₁₆H₁₃NO₃

SMILES

CC1=CC=CC=C1C2=NC3=C(C=CC=C3OC)C(=O)O2

InChI

InChI=1S/C16H13NO3/c1-10-6-3-4-7-11(10)15-17-14-12(16(18)20-15)8-5-9-13(14)19-2/h3-9H,1-2H3

InChIKey

CKUBEXWXPHBBOM-UHFFFAOYSA-N

Compound name

8-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 267.08954 Da
Monoisotopic Mass: 3.3
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]+	268.09682	158.6
[M+Na]+	290.07876	169.7
[M-H]-	266.08226	166.6
[M+NH4]+	285.12336	173.8
[M+K]+	306.05270	166.8
[M+H-H2O]+	250.08680	149.9
[M+HCOO]-	312.08774	180.6
[M+CH3COO]-	326.10339	172.0
[M+Na-2H]-	288.06421	166.5
[M]+	267.08899	163.3
[M]-	267.09009	163.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.