CID 9575067

Isonicotinic acid {2-(4-chloro-phenoxy)-1-[(pyridin-4-ylmethylene)-amino]-ethylidene}-hydrazide

Structural Information

Molecular Formula
C20H16ClN5O2
SMILES
C1=CC(=CC=C1OC/C(=N\NC(=O)C2=CC=NC=C2)/N=CC3=CC=NC=C3)Cl
InChI
InChI=1S/C20H16ClN5O2/c21-17-1-3-18(4-2-17)28-14-19(24-13-15-5-9-22-10-6-15)25-26-20(27)16-7-11-23-12-8-16/h1-13H,14H2,(H,26,27)/b24-13?,25-19+
InChIKey
ASXGKTZMPMYHDS-GAVQEEDUSA-N
Compound name
N-[(E)-[2-(4-chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.09924 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.10652 191.1
[M+Na]+ 416.08846 196.4
[M-H]- 392.09196 199.9
[M+NH4]+ 411.13306 199.7
[M+K]+ 432.06240 190.6
[M+H-H2O]+ 376.09650 178.8
[M+HCOO]- 438.09744 212.3
[M+CH3COO]- 452.11309 226.6
[M+Na-2H]- 414.07391 197.8
[M]+ 393.09869 194.0
[M]- 393.09979 194.0
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.