CID 250315

N-(4-oxo-2-phenyl-4h-chromen-3-yl)methanesulfonamide

Structural Information

Molecular Formula

C₁₆H₁₃NO₄S

SMILES

CS(=O)(=O)NC1=C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3

InChI

InChI=1S/C16H13NO4S/c1-22(19,20)17-14-15(18)12-9-5-6-10-13(12)21-16(14)11-7-3-2-4-8-11/h2-10,17H,1H3

InChIKey

OITAOLSAMIHDBV-UHFFFAOYSA-N

Compound name

N-(4-oxo-2-phenylchromen-3-yl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 315.05652 Da
Monoisotopic Mass: 2.7
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]+	316.063796	167.9
[M+Na]+	338.045738	178.0
[M-H]-	314.049244	177.0
[M+NH4]+	333.090343	182.4
[M+K]+	354.019678	174.3
[M+H-H2O]+	298.053780	160.4
[M+HCOO]-	360.054721	186.3
[M+CH3COO]-	374.070371	204.7
[M+Na-2H]-	336.031186	175.7
[M]+	315.05597142	172.8
[M]-	315.05706858	172.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.