CID 476497

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

Structural Information

Molecular Formula
C13H13N3O4
SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=CC=C3
InChI
InChI=1S/C13H13N3O4/c17-16(18)12-7-15-6-11(9-20-13(15)14-12)19-8-10-4-2-1-3-5-10/h1-5,7,11H,6,8-9H2/t11-/m0/s1
InChIKey
OELNBPAXKWBFGO-NSHDSACASA-N
Compound name
(6S)-2-nitro-6-phenylmethoxy-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

275.0906 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.09788 158.3
[M+Na]+ 298.07982 164.2
[M-H]- 274.08332 163.7
[M+NH4]+ 293.12442 171.7
[M+K]+ 314.05376 158.5
[M+H-H2O]+ 258.08786 153.8
[M+HCOO]- 320.08880 178.5
[M+CH3COO]- 334.10445 190.8
[M+Na-2H]- 296.06527 166.4
[M]+ 275.09005 157.4
[M]- 275.09115 157.4
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