CID 168720535

Cqsreulphousfx-uhfffaoysa-n

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₃S

SMILES

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

InChI

InChI=1S/C10H13N3O3S/c1-7(14)6-10(12)13-17(15,16)9-4-2-8(11)3-5-9/h2-6,14H,11H2,1H3,(H2,12,13)

InChIKey

CQSREULPHOUSFX-UHFFFAOYSA-N

Compound name

N'-(4-aminophenyl)sulfonyl-3-hydroxybut-2-enimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.06776 Da
Monoisotopic Mass: 0.7
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]+	256.075036	154.9
[M+Na]+	278.056978	160.7
[M-H]-	254.060484	157.5
[M+NH4]+	273.101583	170.5
[M+K]+	294.030918	157.1
[M+H-H2O]+	238.065020	148.0
[M+HCOO]-	300.065961	173.0
[M+CH3COO]-	314.081611	196.9
[M+Na-2H]-	276.042426	156.6
[M]+	255.06721142	152.7
[M]-	255.06830858	152.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.