CID 9579174

Mls001224374

Structural Information

Molecular Formula

C₁₆H₁₀ClN₃O₃

SMILES

C1=CC2=C(C=C1Cl)C(=O)C(=CO2)/C=N/NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C16H10ClN3O3/c17-12-1-2-14-13(7-12)15(21)11(9-23-14)8-19-20-16(22)10-3-5-18-6-4-10/h1-9H,(H,20,22)/b19-8+

InChIKey

XMDBONHIROJGRV-UFWORHAWSA-N

Compound name

N-[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 327.04108 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]+	328.048356	172.4
[M+Na]+	350.030298	182.2
[M-H]-	326.033804	181.0
[M+NH4]+	345.074903	185.5
[M+K]+	366.004238	177.8
[M+H-H2O]+	310.038340	163.3
[M+HCOO]-	372.039281	192.6
[M+CH3COO]-	386.054931	184.4
[M+Na-2H]-	348.015746	180.6
[M]+	327.04053142	177.3
[M]-	327.04162858	177.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.