CID 170456286

4-amino-n-(1-hydroxypyrimidin-2-ylidene)benzenesulfonamide

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₃S

SMILES

C1=CN(C(=NS(=O)(=O)C2=CC=C(C=C2)N)N=C1)O

InChI

InChI=1S/C10H10N4O3S/c11-8-2-4-9(5-3-8)18(16,17)13-10-12-6-1-7-14(10)15/h1-7,15H,11H2

InChIKey

SAKCIKMNJZPNKD-UHFFFAOYSA-N

Compound name

4-amino-N-(1-hydroxypyrimidin-2-ylidene)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.04736 Da
Monoisotopic Mass: -0.3
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]+	267.054636	155.8
[M+Na]+	289.036578	165.4
[M-H]-	265.040084	160.3
[M+NH4]+	284.081183	169.2
[M+K]+	305.010518	160.5
[M+H-H2O]+	249.044620	147.5
[M+HCOO]-	311.045561	174.6
[M+CH3COO]-	325.061211	194.6
[M+Na-2H]-	287.022026	162.5
[M]+	266.04681142	156.4
[M]-	266.04790858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.