CID 468603

N'-isonicotinoylbenzenesulfonohydrazide

Structural Information

Molecular Formula

C₁₂H₁₁N₃O₃S

SMILES

C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C12H11N3O3S/c16-12(10-6-8-13-9-7-10)14-15-19(17,18)11-4-2-1-3-5-11/h1-9,15H,(H,14,16)

InChIKey

UKJCMAQTXOTHNO-UHFFFAOYSA-N

Compound name

N'-(benzenesulfonyl)pyridine-4-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 1
Patents: 277.05212 Da
Monoisotopic Mass: 1.0
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]+	278.05940	158.5
[M+Na]+	300.04134	165.1
[M-H]-	276.04484	163.8
[M+NH4]+	295.08594	172.3
[M+K]+	316.01528	160.9
[M+H-H2O]+	260.04938	150.1
[M+HCOO]-	322.05032	177.7
[M+CH3COO]-	336.06597	196.7
[M+Na-2H]-	298.02679	165.6
[M]+	277.05157	158.9
[M]-	277.05267	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe