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 180.2
[M+Na]+ 387.02959 182.2
[M-H]- 363.03309 190.8
[M+NH4]+ 382.07419 189.7
[M+K]+ 403.00353 175.8
[M+H-H2O]+ 347.03763 179.4
[M+HCOO]- 409.03857 211.8
[M+CH3COO]- 423.05422 209.4
[M+Na-2H]- 385.01504 190.6
[M]+ 364.03982 180.4
[M]- 364.04092 180.4
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.