CID 367389

Nsc637078

Structural Information

Molecular Formula

C₈H₁₃N₃O₅S₂

SMILES

CNS(=O)(=O)NNS(=O)(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C8H13N3O5S2/c1-9-18(14,15)11-10-17(12,13)8-5-3-7(16-2)4-6-8/h3-6,9-11H,1-2H3

InChIKey

IKFNOHFAKGITJS-UHFFFAOYSA-N

Compound name

4-methoxy-N'-(methylsulfamoyl)benzenesulfonohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 295.02966 Da
Monoisotopic Mass: -0.1
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]+	296.03694	160.2
[M+Na]+	318.01888	166.3
[M-H]-	294.02238	162.9
[M+NH4]+	313.06348	174.2
[M+K]+	333.99282	162.0
[M+H-H2O]+	278.02692	152.8
[M+HCOO]-	340.02786	174.9
[M+CH3COO]-	354.04351	201.1
[M+Na-2H]-	316.00433	167.1
[M]+	295.02911	163.0
[M]-	295.03021	163.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.