CID 252102

28284-14-2

Structural Information

Molecular Formula

C₁₄H₁₀N₄O₂

SMILES

C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C14H10N4O2/c19-13(9-5-7-15-8-6-9)18-17-12-10-3-1-2-4-11(10)16-14(12)20/h1-8,16,20H

InChIKey

CEZNPJKPZYUAQS-UHFFFAOYSA-N

Compound name

N-[(2-hydroxy-1H-indol-3-yl)imino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 8
Patents: 266.08038 Da
Monoisotopic Mass: 2.6
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]+	267.08766	155.9
[M+Na]+	289.06960	165.1
[M-H]-	265.07310	162.0
[M+NH4]+	284.11420	171.7
[M+K]+	305.04354	160.5
[M+H-H2O]+	249.07764	146.8
[M+HCOO]-	311.07858	181.6
[M+CH3COO]-	325.09423	168.4
[M+Na-2H]-	287.05505	164.1
[M]+	266.07983	157.1
[M]-	266.08093	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe