CID 9578688

37853-17-1

Structural Information

Molecular Formula
C14H9N3O4
SMILES
C1=COC(=C1)C2=NOC(=C2)/N=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H9N3O4/c18-17(19)11-5-3-10(4-6-11)9-15-14-8-12(16-21-14)13-2-1-7-20-13/h1-9H/b15-9+
InChIKey
OAJJWNMYXSUXQO-OQLLNIDSSA-N
Compound name
(E)-N-[3-(furan-2-yl)-1,2-oxazol-5-yl]-1-(4-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06658 159.3
[M+Na]+ 306.04852 173.9
[M+NH4]+ 301.09312 166.6
[M+K]+ 322.02246 174.2
[M-H]- 282.05202 168.3
[M+Na-2H]- 304.03397 168.3
[M]+ 283.05875 163.8
[M]- 283.05985 163.8
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.