CID 5403317

Nsc690256

Structural Information

Molecular Formula
C11H8N4O4
SMILES
C1=CN=CC=C1C(=O)N/N=C\C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H8N4O4/c16-11(8-3-5-12-6-4-8)14-13-7-9-1-2-10(19-9)15(17)18/h1-7H,(H,14,16)/b13-7-
InChIKey
VUUFBVKBJGFAJS-QPEQYQDCSA-N
Compound name
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.05457 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06185 153.4
[M+Na]+ 283.04379 159.0
[M-H]- 259.04729 161.1
[M+NH4]+ 278.08839 167.6
[M+K]+ 299.01773 154.2
[M+H-H2O]+ 243.05183 149.1
[M+HCOO]- 305.05277 181.5
[M+CH3COO]- 319.06842 192.3
[M+Na-2H]- 281.02924 162.5
[M]+ 260.05402 153.1
[M]- 260.05512 153.1
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.