CID 9575058

Isonicotinic acid [1-amino-2-(4-chloro-phenoxy)-ethylidene]-hydrazide

Structural Information

Molecular Formula
C14H13ClN4O2
SMILES
C1=CC(=CC=C1OC/C(=N\NC(=O)C2=CC=NC=C2)/N)Cl
InChI
InChI=1S/C14H13ClN4O2/c15-11-1-3-12(4-2-11)21-9-13(16)18-19-14(20)10-5-7-17-8-6-10/h1-8H,9H2,(H2,16,18)(H,19,20)
InChIKey
AVFYIYMHWPKLIE-UHFFFAOYSA-N
Compound name
N-[(E)-[1-amino-2-(4-chlorophenoxy)ethylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.0727 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.07998 167.3
[M+Na]+ 327.06192 173.4
[M-H]- 303.06542 173.3
[M+NH4]+ 322.10652 180.7
[M+K]+ 343.03586 169.0
[M+H-H2O]+ 287.06996 158.5
[M+HCOO]- 349.07090 188.7
[M+CH3COO]- 363.08655 209.3
[M+Na-2H]- 325.04737 172.7
[M]+ 304.07215 168.4
[M]- 304.07325 168.4
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.