CID 9574335

N'-(3-nitro-4-chlorobenzyliden)-2-pyridincarboxyamidrazone

Structural Information

Molecular Formula
C13H10ClN5O2
SMILES
C1=CC=NC(=C1)/C(=N/N=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])/N
InChI
InChI=1S/C13H10ClN5O2/c14-10-5-4-9(7-12(10)19(20)21)8-17-18-13(15)11-3-1-2-6-16-11/h1-8H,(H2,15,18)/b17-8+
InChIKey
CVNOYCABWHTJRB-CAOOACKPSA-N
Compound name
N'-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

303.0523 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.05958 166.2
[M+Na]+ 326.04152 172.3
[M-H]- 302.04502 173.4
[M+NH4]+ 321.08612 179.4
[M+K]+ 342.01546 163.9
[M+H-H2O]+ 286.04956 161.8
[M+HCOO]- 348.05050 190.6
[M+CH3COO]- 362.06615 205.7
[M+Na-2H]- 324.02697 173.9
[M]+ 303.05175 165.5
[M]- 303.05285 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.