CID 468936

127692-15-3

Structural Information

Molecular Formula
C11H9N3O3
SMILES
C1C(OC2=NC=C(N21)[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C11H9N3O3/c15-14(16)10-6-12-11-13(10)7-9(17-11)8-4-2-1-3-5-8/h1-6,9H,7H2
InChIKey
UXCMYEHWDWKNKQ-UHFFFAOYSA-N
Compound name
5-nitro-2-phenyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.06439 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07167 147.0
[M+Na]+ 254.05361 154.8
[M-H]- 230.05711 153.4
[M+NH4]+ 249.09821 164.3
[M+K]+ 270.02755 149.4
[M+H-H2O]+ 214.06165 144.1
[M+HCOO]- 276.06259 169.9
[M+CH3COO]- 290.07824 182.5
[M+Na-2H]- 252.03906 154.4
[M]+ 231.06384 146.3
[M]- 231.06494 146.3
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.