CID 9578689

37853-18-2

Structural Information

Molecular Formula
C12H7N3O5
SMILES
C1=COC(=C1)C2=NOC(=C2)/N=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C12H7N3O5/c16-15(17)12-4-3-8(19-12)7-13-11-6-9(14-20-11)10-2-1-5-18-10/h1-7H/b13-7+
InChIKey
ZAJNTFMAJSFXJB-NTUHNPAUSA-N
Compound name
(E)-N-[3-(furan-2-yl)-1,2-oxazol-5-yl]-1-(5-nitrofuran-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.03857 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.04585 157.1
[M+Na]+ 296.02779 165.4
[M-H]- 272.03129 170.4
[M+NH4]+ 291.07239 172.0
[M+K]+ 312.00173 163.0
[M+H-H2O]+ 256.03583 155.4
[M+HCOO]- 318.03677 186.6
[M+CH3COO]- 332.05242 192.0
[M+Na-2H]- 294.01324 165.2
[M]+ 273.03802 162.5
[M]- 273.03912 162.5
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.