CID 168720538

Xbarcrplfmihfp-uhfffaoysa-n

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₄S

SMILES

CC(=CC(=NS(=O)(=O)C1=C(C=C(C=C1)N)O)N)O

InChI

InChI=1S/C10H13N3O4S/c1-6(14)4-10(12)13-18(16,17)9-3-2-7(11)5-8(9)15/h2-5,14-15H,11H2,1H3,(H2,12,13)

InChIKey

XBARCRPLFMIHFP-UHFFFAOYSA-N

Compound name

N'-(4-amino-2-hydroxyphenyl)sulfonyl-3-hydroxybut-2-enimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.06268 Da
Monoisotopic Mass: 0.9
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]+	272.069956	157.7
[M+Na]+	294.051898	163.5
[M-H]-	270.055404	159.0
[M+NH4]+	289.096503	171.9
[M+K]+	310.025838	159.8
[M+H-H2O]+	254.059940	150.9
[M+HCOO]-	316.060881	174.4
[M+CH3COO]-	330.076531	198.4
[M+Na-2H]-	292.037346	158.4
[M]+	271.06213142	155.3
[M]-	271.06322858	155.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.