CID 2840670

52942-50-4

Structural Information

Molecular Formula
C16H15NO4
SMILES
COC1=C(C=C(C=C1)C2NC(=O)C3=CC=CC=C3O2)OC
InChI
InChI=1S/C16H15NO4/c1-19-13-8-7-10(9-14(13)20-2)16-17-15(18)11-5-3-4-6-12(11)21-16/h3-9,16H,1-2H3,(H,17,18)
InChIKey
AHOCAAUPNWZQCF-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

285.1001 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10738 163.7
[M+Na]+ 308.08932 172.1
[M-H]- 284.09282 169.5
[M+NH4]+ 303.13392 177.1
[M+K]+ 324.06326 169.3
[M+H-H2O]+ 268.09736 155.0
[M+HCOO]- 330.09830 181.4
[M+CH3COO]- 344.11395 199.0
[M+Na-2H]- 306.07477 169.3
[M]+ 285.09955 165.2
[M]- 285.10065 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.