CID 9570922

Brn 0368441

Structural Information

Molecular Formula
C12H8N6O8
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C12H8N6O8/c19-11(15-13-5-7-1-3-9(25-7)17(21)22)12(20)16-14-6-8-2-4-10(26-8)18(23)24/h1-6H,(H,15,19)(H,16,20)/b13-5+,14-6+
InChIKey
CBSWQZXWJOWHDX-ACFHMISVSA-N
Compound name
N,N'-bis[(E)-(5-nitrofuran-2-yl)methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.04037 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.04765 179.9
[M+Na]+ 387.02959 186.0
[M+NH4]+ 382.07419 188.8
[M+K]+ 403.00353 195.3
[M-H]- 363.03309 177.3
[M+Na-2H]- 385.01504 178.1
[M]+ 364.03982 182.3
[M]- 364.04092 182.3
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.