CID 44249592

6-(benzyloxy)-8-(2-bromoacetyl)-2h-benzo[b][1,4]oxazin-3(4h)-one

Structural Information

Molecular Formula
C17H14BrNO4
SMILES
C1C(=O)NC2=CC(=CC(=C2O1)C(=O)CBr)OCC3=CC=CC=C3
InChI
InChI=1S/C17H14BrNO4/c18-8-15(20)13-6-12(22-9-11-4-2-1-3-5-11)7-14-17(13)23-10-16(21)19-14/h1-7H,8-10H2,(H,19,21)
InChIKey
BSFCOXSPKRDYSL-UHFFFAOYSA-N
Compound name
8-(2-bromoacetyl)-6-phenylmethoxy-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

375.01062 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.01790 177.7
[M+Na]+ 397.99984 186.8
[M-H]- 374.00334 185.1
[M+NH4]+ 393.04444 190.8
[M+K]+ 413.97378 176.1
[M+H-H2O]+ 358.00788 175.5
[M+HCOO]- 420.00882 192.0
[M+CH3COO]- 434.02447 209.4
[M+Na-2H]- 395.98529 182.9
[M]+ 375.01007 196.3
[M]- 375.01117 196.3
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