CID 54686125

7-amino-4-hydroxy-3-sulfanilamidocoumarin sodium salt

Structural Information

Molecular Formula

C₁₅H₁₃N₃O₅S

SMILES

C1=CC(=CC=C1N)S(=O)(=O)NC2=C(C3=C(C=C(C=C3)N)OC2=O)O

InChI

InChI=1S/C15H13N3O5S/c16-8-1-4-10(5-2-8)24(21,22)18-13-14(19)11-6-3-9(17)7-12(11)23-15(13)20/h1-7,18-19H,16-17H2

InChIKey

YEVMQOLEOMYLFM-UHFFFAOYSA-N

Compound name

4-amino-N-(7-amino-4-hydroxy-2-oxochromen-3-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 347.0576 Da
Monoisotopic Mass: 0.6
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]+	348.064876	175.0
[M+Na]+	370.046818	184.2
[M-H]-	346.050324	182.0
[M+NH4]+	365.091423	186.3
[M+K]+	386.020758	180.1
[M+H-H2O]+	330.054860	167.1
[M+HCOO]-	392.055801	192.7
[M+CH3COO]-	406.071451	214.6
[M+Na-2H]-	368.032266	181.3
[M]+	347.05705142	176.7
[M]-	347.05814858	176.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.