CID 54233

Brn 4545168

Structural Information

Molecular Formula
C18H14FNO4
SMILES
CC(C1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=C(C=C3)F)C(=O)OC
InChI
InChI=1S/C18H14FNO4/c1-10(17(21)23-2)12-5-8-15-14(9-12)20-16(18(22)24-15)11-3-6-13(19)7-4-11/h3-10H,1-2H3
InChIKey
BSAFMCYXUMSXKA-UHFFFAOYSA-N
Compound name
methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-benzoxazin-6-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.0907 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09798 173.2
[M+Na]+ 350.07992 182.9
[M-H]- 326.08342 179.6
[M+NH4]+ 345.12452 185.5
[M+K]+ 366.05386 180.2
[M+H-H2O]+ 310.08796 163.2
[M+HCOO]- 372.08890 191.7
[M+CH3COO]- 386.10455 209.8
[M+Na-2H]- 348.06537 177.1
[M]+ 327.09015 177.0
[M]- 327.09125 177.0
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

No patent data available for this compound.