CID 9575055

Isonicotinic acid [1-amino-2-(3-methoxy-phenoxy)-ethylidene]-hydrazide

Structural Information

Molecular Formula
C15H16N4O3
SMILES
COC1=CC(=CC=C1)OC/C(=N\NC(=O)C2=CC=NC=C2)/N
InChI
InChI=1S/C15H16N4O3/c1-21-12-3-2-4-13(9-12)22-10-14(16)18-19-15(20)11-5-7-17-8-6-11/h2-9H,10H2,1H3,(H2,16,18)(H,19,20)
InChIKey
ZXYHNKRNOQDNFB-UHFFFAOYSA-N
Compound name
N-[(E)-[1-amino-2-(3-methoxyphenoxy)ethylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.12225 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12953 167.4
[M+Na]+ 323.11147 172.1
[M-H]- 299.11497 173.4
[M+NH4]+ 318.15607 179.9
[M+K]+ 339.08541 169.9
[M+H-H2O]+ 283.11951 157.4
[M+HCOO]- 345.12045 193.1
[M+CH3COO]- 359.13610 210.9
[M+Na-2H]- 321.09692 172.9
[M]+ 300.12170 167.9
[M]- 300.12280 167.9
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.