CID 476500

187235-33-2

Structural Information

Molecular Formula
C13H12FN3O4
SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)F
InChI
InChI=1S/C13H12FN3O4/c14-10-3-1-9(2-4-10)7-20-11-5-16-6-12(17(18)19)15-13(16)21-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1
InChIKey
XFOAIJNXFUBTET-NSHDSACASA-N
Compound name
(6S)-6-[(4-fluorophenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.08118 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08846 161.3
[M+Na]+ 316.07040 168.2
[M-H]- 292.07390 165.7
[M+NH4]+ 311.11500 174.2
[M+K]+ 332.04434 161.9
[M+H-H2O]+ 276.07844 156.1
[M+HCOO]- 338.07938 180.4
[M+CH3COO]- 352.09503 194.6
[M+Na-2H]- 314.05585 168.2
[M]+ 293.08063 159.8
[M]- 293.08173 159.8
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.