CID 5334551

156305-88-3

Structural Information

Molecular Formula
C13H10N4O3
SMILES
C1=CC=NC(=C1)C(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H10N4O3/c18-13(12-3-1-2-8-14-12)16-15-9-10-4-6-11(7-5-10)17(19)20/h1-9H,(H,16,18)/b15-9+
InChIKey
ICZZQTGHLHOMJR-OQLLNIDSSA-N
Compound name
N-[(E)-(4-nitrophenyl)methylideneamino]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0753 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08258 156.4
[M+Na]+ 293.06452 161.5
[M-H]- 269.06802 163.0
[M+NH4]+ 288.10912 169.8
[M+K]+ 309.03846 154.6
[M+H-H2O]+ 253.07256 151.4
[M+HCOO]- 315.07350 183.9
[M+CH3COO]- 329.08915 196.1
[M+Na-2H]- 291.04997 165.9
[M]+ 270.07475 154.2
[M]- 270.07585 154.2
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.