CID 9555136

Nsc256458

Structural Information

Molecular Formula
C13H9N5O5
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])/C=N/NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C13H9N5O5/c19-13(9-3-5-14-6-4-9)16-15-8-10-1-2-11(17(20)21)7-12(10)18(22)23/h1-8H,(H,16,19)/b15-8+
InChIKey
BBCWBJKQXNZKSV-OVCLIPMQSA-N
Compound name
N-[(E)-(2,4-dinitrophenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.06036 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.06764 165.5
[M+Na]+ 338.04958 169.0
[M-H]- 314.05308 172.0
[M+NH4]+ 333.09418 175.5
[M+K]+ 354.02352 158.6
[M+H-H2O]+ 298.05762 164.4
[M+HCOO]- 360.05856 192.6
[M+CH3COO]- 374.07421 199.2
[M+Na-2H]- 336.03503 175.7
[M]+ 315.05981 161.7
[M]- 315.06091 161.7
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.