CID 6897208

N'-[(4-oxo-4h-chromen-3-yl)methylene]isonicotinohydrazide

Structural Information

Molecular Formula

C₁₆H₁₁N₃O₃

SMILES

C1=CC=C2C(=C1)C(=O)C(=CO2)/C=N/NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C16H11N3O3/c20-15-12(10-22-14-4-2-1-3-13(14)15)9-18-19-16(21)11-5-7-17-8-6-11/h1-10H,(H,19,21)/b18-9+

InChIKey

YFNDGAPTSYRUMC-GIJQJNRQSA-N

Compound name

N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 3
Patents: 293.08005 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]+	294.087326	164.4
[M+Na]+	316.069268	172.6
[M-H]-	292.072774	172.9
[M+NH4]+	311.113873	177.6
[M+K]+	332.043208	169.6
[M+H-H2O]+	276.077310	154.5
[M+HCOO]-	338.078251	189.2
[M+CH3COO]-	352.093901	206.9
[M+Na-2H]-	314.054716	174.0
[M]+	293.07950142	166.5
[M]-	293.08059858	166.5

Literature stripe

literature stripe

Patent stripe

patents stripe