CID 5465072

Nsc633260

Structural Information

Molecular Formula

C₁₃H₁₃N₃O₃S

SMILES

C/C(=C\1/C=CC=CN1O)/N=NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H13N3O3S/c1-11(13-9-5-6-10-16(13)17)14-15-20(18,19)12-7-3-2-4-8-12/h2-10,17H,1H3/b13-11+,15-14?

InChIKey

ZPUKOOVSPACMGW-RVZACNPWSA-N

Compound name

N-[(1E)-1-(1-hydroxy-2-pyridinylidene)ethyl]iminobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 291.06775 Da
Monoisotopic Mass: 2.8
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]+	292.075026	163.6
[M+Na]+	314.056968	170.4
[M-H]-	290.060474	170.3
[M+NH4]+	309.101573	177.8
[M+K]+	330.030908	166.6
[M+H-H2O]+	274.065010	155.1
[M+HCOO]-	336.065951	182.7
[M+CH3COO]-	350.081601	202.2
[M+Na-2H]-	312.042416	169.0
[M]+	291.06720142	164.5
[M]-	291.06829858	164.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.