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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.06488 175.0
[M+Na]+ 370.04682 184.2
[M-H]- 346.05032 182.0
[M+NH4]+ 365.09142 186.3
[M+K]+ 386.02076 180.1
[M+H-H2O]+ 330.05486 167.1
[M+HCOO]- 392.05580 192.7
[M+CH3COO]- 406.07145 214.6
[M+Na-2H]- 368.03227 181.3
[M]+ 347.05705 176.7
[M]- 347.05815 176.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.