CID 16728949

6-nitro-2-(phenoxymethyl)-2,3-dihydroimidazo[2,1-b]oxazole

Structural Information

Molecular Formula
C12H11N3O4
SMILES
C1C(OC2=NC(=CN21)[N+](=O)[O-])COC3=CC=CC=C3
InChI
InChI=1S/C12H11N3O4/c16-15(17)11-7-14-6-10(19-12(14)13-11)8-18-9-4-2-1-3-5-9/h1-5,7,10H,6,8H2
InChIKey
VJCWFVKFNRABES-UHFFFAOYSA-N
Compound name
6-nitro-2-(phenoxymethyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.07495 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08223 154.4
[M+Na]+ 284.06417 161.5
[M-H]- 260.06767 160.7
[M+NH4]+ 279.10877 170.4
[M+K]+ 300.03811 156.4
[M+H-H2O]+ 244.07221 151.2
[M+HCOO]- 306.07315 177.2
[M+CH3COO]- 320.08880 187.6
[M+Na-2H]- 282.04962 161.5
[M]+ 261.07440 155.3
[M]- 261.07550 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.