CID 67316

Salazosulfamide

Structural Information

Molecular Formula

C₁₃H₁₁N₃O₅S

SMILES

C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C13H11N3O5S/c14-22(20,21)10-4-1-8(2-5-10)15-16-9-3-6-12(17)11(7-9)13(18)19/h1-7,17H,(H,18,19)(H2,14,20,21)

InChIKey

NBSRUZQXRUNPNY-UHFFFAOYSA-N

Compound name

2-hydroxy-5-[(4-sulfamoylphenyl)diazenyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 245
Patents: 321.04193 Da
Monoisotopic Mass: -1.9
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]+	322.049206	167.9
[M+Na]+	344.031148	175.2
[M-H]-	320.034654	174.7
[M+NH4]+	339.075753	180.9
[M+K]+	360.005088	171.6
[M+H-H2O]+	304.039190	159.7
[M+HCOO]-	366.040131	188.6
[M+CH3COO]-	380.055781	209.5
[M+Na-2H]-	342.016596	172.4
[M]+	321.04138142	169.7
[M]-	321.04247858	169.7

Literature stripe

literature stripe

Patent stripe

patents stripe