CID 3769

Methaniazide

Structural Information

Molecular Formula

C₇H₉N₃O₄S

SMILES

C1=CN=CC=C1C(=O)NNCS(=O)(=O)O

InChI

InChI=1S/C7H9N3O4S/c11-7(6-1-3-8-4-2-6)10-9-5-15(12,13)14/h1-4,9H,5H2,(H,10,11)(H,12,13,14)

InChIKey

GQZQCROBCYNTMU-UHFFFAOYSA-N

Compound name

[2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 13
References: 209
Patents: 231.03137 Da
Monoisotopic Mass: -3.6
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]+	232.038646	145.3
[M+Na]+	254.020588	151.8
[M-H]-	230.024094	146.3
[M+NH4]+	249.065193	160.5
[M+K]+	269.994528	149.1
[M+H-H2O]+	214.028630	138.3
[M+HCOO]-	276.029571	163.2
[M+CH3COO]-	290.045221	185.6
[M+Na-2H]-	252.006036	151.6
[M]+	231.03082142	145.8
[M]-	231.03191858	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe