CID 301521

14062-05-6

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₄S₂

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C14H16N2O4S2/c1-11-3-7-13(8-4-11)21(17,18)15-16-22(19,20)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3

InChIKey

CVRIWLRSJCDOOX-UHFFFAOYSA-N

Compound name

4-methyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 105
Patents: 340.05515 Da
Monoisotopic Mass: 2.5
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]+	341.06243	175.2
[M+Na]+	363.04437	185.1
[M+NH4]+	358.08897	181.2
[M+K]+	379.01831	176.9
[M-H]-	339.04787	177.7
[M+Na-2H]-	361.02982	182.0
[M]+	340.05460	178.1
[M]-	340.05570	178.1

Literature stripe

literature stripe

Patent stripe

patents stripe