CID 3450026

175202-65-0

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₂S

SMILES

C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NN

InChI

InChI=1S/C10H11N3O2S/c11-13-9(14)5-8-10(15)12-6-3-1-2-4-7(6)16-8/h1-4,8H,5,11H2,(H,12,15)(H,13,14)

InChIKey

QWRORGHKZBEAOV-UHFFFAOYSA-N

Compound name

2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 237.0572 Da
Monoisotopic Mass: 0.0
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]+	238.06448	147.4
[M+Na]+	260.04642	153.7
[M-H]-	236.04992	148.3
[M+NH4]+	255.09102	163.7
[M+K]+	276.02036	149.1
[M+H-H2O]+	220.05446	140.8
[M+HCOO]-	282.05540	161.7
[M+CH3COO]-	296.07105	190.8
[M+Na-2H]-	258.03187	151.0
[M]+	237.05665	143.8
[M]-	237.05775	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe