CID 135511229

[[(2e)-2-[(e)-(4-hydroxyphenyl)methylenehydrazono]ethyl]amino] pyridine-3-carboxylate

Structural Information

Molecular Formula

C₁₅H₁₄N₄O₃

SMILES

C1=CC(=CN=C1)C(=O)ONC/C=N/N=C/C2=CC=C(C=C2)O

InChI

InChI=1S/C15H14N4O3/c20-14-5-3-12(4-6-14)10-18-17-8-9-19-22-15(21)13-2-1-7-16-11-13/h1-8,10-11,19-20H,9H2/b17-8+,18-10+

InChIKey

JGTRKKNZGAXLGG-SSPCNXNLSA-N

Compound name

[[(2E)-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]ethyl]amino] pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 298.1066 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	299.113876	165.7
[M+Na]+	321.095818	171.0
[M-H]-	297.099324	172.1
[M+NH4]+	316.140423	178.6
[M+K]+	337.069758	167.9
[M+H-H2O]+	281.103860	155.5
[M+HCOO]-	343.104801	193.2
[M+CH3COO]-	357.120451	209.1
[M+Na-2H]-	319.081266	173.4
[M]+	298.10605142	166.9
[M]-	298.10714858	166.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.