CID 16099135

Chembl384752

Structural Information

Molecular Formula
C15H15N3O4
SMILES
C1C(OC2=NC(=CN21)[N+](=O)[O-])COC/C=C/C3=CC=CC=C3
InChI
InChI=1S/C15H15N3O4/c19-18(20)14-10-17-9-13(22-15(17)16-14)11-21-8-4-7-12-5-2-1-3-6-12/h1-7,10,13H,8-9,11H2/b7-4+
InChIKey
ZKRIYXJNOVPMIH-QPJJXVBHSA-N
Compound name
6-nitro-2-[[(E)-3-phenylprop-2-enoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.10626 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11354 168.6
[M+Na]+ 324.09548 174.7
[M-H]- 300.09898 174.3
[M+NH4]+ 319.14008 182.8
[M+K]+ 340.06942 168.3
[M+H-H2O]+ 284.10352 164.8
[M+HCOO]- 346.10446 190.4
[M+CH3COO]- 360.12011 194.9
[M+Na-2H]- 322.08093 174.0
[M]+ 301.10571 169.6
[M]- 301.10681 169.6
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.