CID 9577606

37962-27-9

Structural Information

Molecular Formula
C12H8N4O7
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=C/C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C12H8N4O7/c17-10(4-1-8-2-5-11(22-8)15(18)19)14-13-7-9-3-6-12(23-9)16(20)21/h1-7H,(H,14,17)/b4-1+,13-7+
InChIKey
IUTJYHSRMXYBAA-NYNQDTEKSA-N
Compound name
(E)-3-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.0393 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.04658 168.6
[M+Na]+ 343.02852 175.2
[M+NH4]+ 338.07312 177.7
[M+K]+ 359.00246 184.8
[M-H]- 319.03202 179.0
[M+Na-2H]- 341.01397 175.7
[M]+ 320.03875 171.0
[M]- 320.03985 171.0
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.