CID 3848951

96134-79-1

Structural Information

Molecular Formula

C₉H₁₃N₃O₃S

SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NN

InChI

InChI=1S/C9H13N3O3S/c1-12(2)16(14,15)8-5-3-4-7(6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13)

InChIKey

PDYSBCAKDARVOS-UHFFFAOYSA-N

Compound name

3-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 243.06776 Da
Monoisotopic Mass: -0.4
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]+	244.07504	150.9
[M+Na]+	266.05698	157.2
[M-H]-	242.06048	155.5
[M+NH4]+	261.10158	167.9
[M+K]+	282.03092	155.6
[M+H-H2O]+	226.06502	143.8
[M+HCOO]-	288.06596	171.2
[M+CH3COO]-	302.08161	198.3
[M+Na-2H]-	264.04243	154.4
[M]+	243.06721	151.9
[M]-	243.06831	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe