CID 5393962

4-chlorobenzaldehyde (4-pyridylcarbonyl)hydrazone

Structural Information

Molecular Formula
C13H10ClN3O
SMILES
C1=CC(=CC=C1/C=N\NC(=O)C2=CC=NC=C2)Cl
InChI
InChI=1S/C13H10ClN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9-
InChIKey
AMDRLZATAWMLKJ-SXGWCWSVSA-N
Compound name
N-[(Z)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.05124 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05852 156.1
[M+Na]+ 282.04046 163.9
[M-H]- 258.04396 162.6
[M+NH4]+ 277.08506 172.1
[M+K]+ 298.01440 158.8
[M+H-H2O]+ 242.04850 147.7
[M+HCOO]- 304.04944 178.0
[M+CH3COO]- 318.06509 198.7
[M+Na-2H]- 280.02591 163.6
[M]+ 259.05069 157.6
[M]- 259.05179 157.6
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

patents stripe