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

49
Patents

297.1001 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.107376 167.9
[M+Na]+ 320.089318 177.1
[M-H]- 296.092824 177.4
[M+NH4]+ 315.133923 174.6
[M+K]+ 336.063258 174.6
[M+H-H2O]+ 280.097360 158.6
[M+HCOO]- 342.098301 184.7
[M+CH3COO]- 356.113951 178.6
[M+Na-2H]- 318.074766 174.2
[M]+ 297.09955142 171.0
[M]- 297.10064858 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