CID 367380

Nsc637069

Structural Information

Molecular Formula

C₈H₁₃N₃O₄S₂

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNS(=O)(=O)NC

InChI

InChI=1S/C8H13N3O4S2/c1-7-3-5-8(6-4-7)16(12,13)10-11-17(14,15)9-2/h3-6,9-11H,1-2H3

InChIKey

PCYMMWQSEQUTEK-UHFFFAOYSA-N

Compound name

4-methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 279.03476 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]+	280.04204	157.5
[M+Na]+	302.02398	163.9
[M-H]-	278.02748	160.2
[M+NH4]+	297.06858	172.3
[M+K]+	317.99792	159.1
[M+H-H2O]+	262.03202	150.3
[M+HCOO]-	324.03296	172.0
[M+CH3COO]-	338.04861	198.8
[M+Na-2H]-	300.00943	163.9
[M]+	279.03421	159.0
[M]-	279.03531	159.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.