CID 2811813

Mls000850205

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₃S₂

SMILES

C1=CSC(=C1)C(=O)NNC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C11H11N3O3S2/c12-19(16,17)9-5-3-8(4-6-9)13-14-11(15)10-2-1-7-18-10/h1-7,13H,(H,14,15)(H2,12,16,17)

InChIKey

LGHRLRSRBFTNRZ-UHFFFAOYSA-N

Compound name

4-[2-(thiophene-2-carbonyl)hydrazinyl]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 0
Patents: 297.02417 Da
Monoisotopic Mass: 1.7
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]+	298.031446	163.4
[M+Na]+	320.013388	170.3
[M-H]-	296.016894	169.4
[M+NH4]+	315.057993	179.4
[M+K]+	335.987328	164.9
[M+H-H2O]+	280.021430	156.4
[M+HCOO]-	342.022371	179.3
[M+CH3COO]-	356.038021	201.2
[M+Na-2H]-	317.998836	166.4
[M]+	297.02362142	163.5
[M]-	297.02471858	163.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.