CID 2810952

Maybridge3_001887

Structural Information

Molecular Formula

C₁₂H₈N₂O₄

SMILES

C1C2=C(C=C(C=C2)NC(=O)C3=CC=NO3)C(=O)O1

InChI

InChI=1S/C12H8N2O4/c15-11(10-3-4-13-18-10)14-8-2-1-7-6-17-12(16)9(7)5-8/h1-5H,6H2,(H,14,15)

InChIKey

NANYFSLJLBFCSI-UHFFFAOYSA-N

Compound name

N-(3-oxo-1H-2-benzofuran-5-yl)-1,2-oxazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 244.0484 Da
Monoisotopic Mass: 1.0
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]+	245.055676	149.3
[M+Na]+	267.037618	158.0
[M-H]-	243.041124	157.7
[M+NH4]+	262.082223	166.7
[M+K]+	283.011558	157.8
[M+H-H2O]+	227.045660	143.2
[M+HCOO]-	289.046601	172.3
[M+CH3COO]-	303.062251	163.0
[M+Na-2H]-	265.023066	154.6
[M]+	244.04785142	152.2
[M]-	244.04894858	152.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.