CID 5705458

Stk494151

Structural Information

Molecular Formula

C₁₇H₁₂N₂O₄

SMILES

C1=CC=C2C(=C1)C(=O)C(=CO2)/C=N/NC(=O)C3=CC=CC=C3O

InChI

InChI=1S/C17H12N2O4/c20-14-7-3-1-5-12(14)17(22)19-18-9-11-10-23-15-8-4-2-6-13(15)16(11)21/h1-10,20H,(H,19,22)/b18-9+

InChIKey

WAFYGXXLTQAURQ-GIJQJNRQSA-N

Compound name

2-hydroxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 308.0797 Da
Monoisotopic Mass: 2.9
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]+	309.086976	167.7
[M+Na]+	331.068918	175.8
[M-H]-	307.072424	176.5
[M+NH4]+	326.113523	181.2
[M+K]+	347.042858	172.8
[M+H-H2O]+	291.076960	158.8
[M+HCOO]-	353.077901	192.2
[M+CH3COO]-	367.093551	208.4
[M+Na-2H]-	329.054366	175.6
[M]+	308.07915142	169.7
[M]-	308.08024858	169.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.