CID 162345512

Ns00133141

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₄S

SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=CC(=C(C=C2)N)O

InChI

InChI=1S/C10H11N3O4S/c1-6-4-10(12-17-6)13-18(15,16)7-2-3-8(11)9(14)5-7/h2-5,14H,11H2,1H3,(H,12,13)

InChIKey

SSRVHIZTVPBURV-UHFFFAOYSA-N

Compound name

4-amino-3-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.04703 Da
Monoisotopic Mass: 0.5
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]+	270.054306	156.5
[M+Na]+	292.036248	165.9
[M-H]-	268.039754	162.2
[M+NH4]+	287.080853	171.2
[M+K]+	308.010188	163.0
[M+H-H2O]+	252.044290	149.8
[M+HCOO]-	314.045231	175.1
[M+CH3COO]-	328.060881	194.4
[M+Na-2H]-	290.021696	160.6
[M]+	269.04648142	158.8
[M]-	269.04757858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.