CID 504583

Chembl421137

Structural Information

Molecular Formula
C18H15FN2O4
SMILES
C[C@H](C1=NC2=C(C(=CC=C2)F)C(=O)O1)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C18H15FN2O4/c1-11(20-18(23)24-10-12-6-3-2-4-7-12)16-21-14-9-5-8-13(19)15(14)17(22)25-16/h2-9,11H,10H2,1H3,(H,20,23)/t11-/m1/s1
InChIKey
GSCVVCDJDVPHGO-LLVKDONJSA-N
Compound name
benzyl N-[(1R)-1-(5-fluoro-4-oxo-3,1-benzoxazin-2-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

342.1016 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.10888 177.8
[M+Na]+ 365.09082 185.7
[M-H]- 341.09432 183.6
[M+NH4]+ 360.13542 188.8
[M+K]+ 381.06476 182.9
[M+H-H2O]+ 325.09886 167.1
[M+HCOO]- 387.09980 197.3
[M+CH3COO]- 401.11545 213.0
[M+Na-2H]- 363.07627 182.9
[M]+ 342.10105 180.3
[M]- 342.10215 180.3
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

No patent data available for this compound.