CID 54476

Compound 69-224

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

C1C(=CC2=CC=CC=C2O1)C(=O)NC3=CC=NC=C3

InChI

InChI=1S/C15H12N2O2/c18-15(17-13-5-7-16-8-6-13)12-9-11-3-1-2-4-14(11)19-10-12/h1-9H,10H2,(H,16,17,18)

InChIKey

DHKCIMACICQGHB-UHFFFAOYSA-N

Compound name

N-pyridin-4-yl-2H-chromene-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 252.08987 Da
Monoisotopic Mass: 1.7
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]+	253.09715	154.8
[M+Na]+	275.07909	161.5
[M-H]-	251.08259	161.3
[M+NH4]+	270.12369	169.2
[M+K]+	291.05303	158.6
[M+H-H2O]+	235.08713	145.8
[M+HCOO]-	297.08807	175.6
[M+CH3COO]-	311.10372	166.5
[M+Na-2H]-	273.06454	163.8
[M]+	252.08932	153.7
[M]-	252.09042	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe