CID 476499

(s)-6-(2,4-difluoro-benzyloxy)-2-nitro-6,7-dihydro-5h-imidazo(2,1-b)(1,3)oxazine

Structural Information

Molecular Formula
C13H11F2N3O4
SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=C(C=C(C=C3)F)F
InChI
InChI=1S/C13H11F2N3O4/c14-9-2-1-8(11(15)3-9)6-21-10-4-17-5-12(18(19)20)16-13(17)22-7-10/h1-3,5,10H,4,6-7H2/t10-/m0/s1
InChIKey
WOZZMKNJHPMKLM-JTQLQIEISA-N
Compound name
(6S)-6-[(2,4-difluorophenyl)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

3
Patents

311.07178 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.07906 164.4
[M+Na]+ 334.06100 172.2
[M-H]- 310.06450 167.8
[M+NH4]+ 329.10560 176.8
[M+K]+ 350.03494 165.4
[M+H-H2O]+ 294.06904 158.5
[M+HCOO]- 356.06998 182.4
[M+CH3COO]- 370.08563 198.5
[M+Na-2H]- 332.04645 170.0
[M]+ 311.07123 162.2
[M]- 311.07233 162.2
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.