CID 9575059

Chembl3264279

Structural Information

Molecular Formula
C14H13N5O4
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC/C(=N\NC(=O)C2=CC=NC=C2)/N
InChI
InChI=1S/C14H13N5O4/c15-13(17-18-14(20)10-5-7-16-8-6-10)9-23-12-3-1-11(2-4-12)19(21)22/h1-8H,9H2,(H2,15,17)(H,18,20)
InChIKey
GPYXVEQVAVLGEX-UHFFFAOYSA-N
Compound name
N-[(E)-[1-amino-2-(4-nitrophenoxy)ethylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

315.09674 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.10402 165.5
[M+Na]+ 338.08596 168.7
[M-H]- 314.08946 171.4
[M+NH4]+ 333.13056 176.2
[M+K]+ 354.05990 162.6
[M+H-H2O]+ 298.09400 159.8
[M+HCOO]- 360.09494 192.2
[M+CH3COO]- 374.11059 206.5
[M+Na-2H]- 336.07141 173.3
[M]+ 315.09619 162.7
[M]- 315.09729 162.7
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.