CID 135400468

Flavoteben

Structural Information

Molecular Formula

C₁₃H₁₁N₃O₂

SMILES

C1=CC(=CC=C1/C=N/NC(=O)C2=CC=NC=C2)O

InChI

InChI=1S/C13H11N3O2/c17-12-3-1-10(2-4-12)9-15-16-13(18)11-5-7-14-8-6-11/h1-9,17H,(H,16,18)/b15-9+

InChIKey

MXEBNXXQDJLMTC-OQLLNIDSSA-N

Compound name

N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 5
Patents: 241.08513 Da
Monoisotopic Mass: 1.1
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]+	242.09241	152.0
[M+Na]+	264.07435	158.6
[M-H]-	240.07785	157.5
[M+NH4]+	259.11895	167.1
[M+K]+	280.04829	155.0
[M+H-H2O]+	224.08239	143.2
[M+HCOO]-	286.08333	177.4
[M+CH3COO]-	300.09898	194.7
[M+Na-2H]-	262.05980	159.7
[M]+	241.08458	150.9
[M]-	241.08568	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe