CID 135537726

Benzenesulfonic acid, (1-benzoyl-1,2-dihydro-2-oxo-3h-indol-3-ylidene)hydrazide

Structural Information

Molecular Formula

C₂₁H₁₅N₃O₄S

SMILES

C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C(=C2O)N=NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H15N3O4S/c25-20(15-9-3-1-4-10-15)24-18-14-8-7-13-17(18)19(21(24)26)22-23-29(27,28)16-11-5-2-6-12-16/h1-14,26H

InChIKey

CVGNOBBNMGFCHU-UHFFFAOYSA-N

Compound name

N-(1-benzoyl-2-hydroxyindol-3-yl)iminobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 405.07834 Da
Monoisotopic Mass: 5.4
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]+	406.085616	194.3
[M+Na]+	428.067558	203.6
[M-H]-	404.071064	206.1
[M+NH4]+	423.112163	206.6
[M+K]+	444.041498	198.3
[M+H-H2O]+	388.075600	185.1
[M+HCOO]-	450.076541	215.6
[M+CH3COO]-	464.092191	223.8
[M+Na-2H]-	426.053006	200.0
[M]+	405.07779142	200.1
[M]-	405.07888858	200.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.