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

literature stripe

Patent stripe

patents stripe