CID 21100134

8-(2r)-oxiranyl-6-(phenylmethoxy)-2h-1,4-benzoxazin-3(4h)-one

Structural Information

Molecular Formula
C17H15NO4
SMILES
C1C(O1)C2=C3C(=CC(=C2)OCC4=CC=CC=C4)NC(=O)CO3
InChI
InChI=1S/C17H15NO4/c19-16-10-22-17-13(15-9-21-15)6-12(7-14(17)18-16)20-8-11-4-2-1-3-5-11/h1-7,15H,8-10H2,(H,18,19)
InChIKey
QKZJSZZMIRDNNQ-UHFFFAOYSA-N
Compound name
8-(oxiran-2-yl)-6-phenylmethoxy-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

297.1001 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10738 167.9
[M+Na]+ 320.08932 177.1
[M-H]- 296.09282 177.4
[M+NH4]+ 315.13392 174.6
[M+K]+ 336.06326 174.6
[M+H-H2O]+ 280.09736 158.6
[M+HCOO]- 342.09830 184.7
[M+CH3COO]- 356.11395 178.6
[M+Na-2H]- 318.07477 174.2
[M]+ 297.09955 171.0
[M]- 297.10065 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe