CID 9580050

N'-[(e)-(4-chloro-3-nitrophenyl)methylidene]pyridine-4-carbohydrazide

Structural Information

Molecular Formula
C13H9ClN4O3
SMILES
C1=CC(=C(C=C1/C=N/NC(=O)C2=CC=NC=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H9ClN4O3/c14-11-2-1-9(7-12(11)18(20)21)8-16-17-13(19)10-3-5-15-6-4-10/h1-8H,(H,17,19)/b16-8+
InChIKey
PMCUEZJDOCCWDI-LZYBPNLTSA-N
Compound name
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

304.03632 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04360 165.0
[M+Na]+ 327.02554 171.4
[M-H]- 303.02904 171.5
[M+NH4]+ 322.07014 178.1
[M+K]+ 342.99948 163.1
[M+H-H2O]+ 287.03358 161.0
[M+HCOO]- 349.03452 187.8
[M+CH3COO]- 363.05017 201.0
[M+Na-2H]- 325.01099 173.0
[M]+ 304.03577 165.5
[M]- 304.03687 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.