CID 3041187

Brn 0245812

Structural Information

Molecular Formula

C₁₅H₁₀N₂O₃

SMILES

C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=CC=CC=N3

InChI

InChI=1S/C15H10N2O3/c18-11-9-13(20-12-6-2-1-5-10(11)12)15(19)17-14-7-3-4-8-16-14/h1-9H,(H,16,17,19)

InChIKey

VSOROLXHUGTSIQ-UHFFFAOYSA-N

Compound name

4-oxo-N-pyridin-2-ylchromene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 266.06915 Da
Monoisotopic Mass: 2.2
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]+	267.076426	156.8
[M+Na]+	289.058368	165.6
[M-H]-	265.061874	164.2
[M+NH4]+	284.102973	170.9
[M+K]+	305.032308	162.6
[M+H-H2O]+	249.066410	147.8
[M+HCOO]-	311.067351	179.4
[M+CH3COO]-	325.083001	169.3
[M+Na-2H]-	287.043816	166.1
[M]+	266.06860142	158.3
[M]-	266.06969858	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe