CID 460736

127692-21-1

Structural Information

Molecular Formula
C11H9N3O4
SMILES
C1C(OC2=NC(=CN21)[N+](=O)[O-])OC3=CC=CC=C3
InChI
InChI=1S/C11H9N3O4/c15-14(16)9-6-13-7-10(18-11(13)12-9)17-8-4-2-1-3-5-8/h1-6,10H,7H2
InChIKey
YSDPKFKLOFFUOM-UHFFFAOYSA-N
Compound name
6-nitro-2-phenoxy-2,3-dihydroimidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.05931 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06659 149.6
[M+Na]+ 270.04853 157.2
[M-H]- 246.05203 156.0
[M+NH4]+ 265.09313 166.1
[M+K]+ 286.02247 152.3
[M+H-H2O]+ 230.05657 146.5
[M+HCOO]- 292.05751 172.7
[M+CH3COO]- 306.07316 184.6
[M+Na-2H]- 268.03398 157.2
[M]+ 247.05876 150.2
[M]- 247.05986 150.2
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.