CID 177640249

Taz sulfinic acid

Structural Information

Molecular Formula

C₁₀H₁₂N₄O₂S

SMILES

CC(=O)NC1=CC=C(C=C1)/C=N/N=C(/N)\SO

InChI

InChI=1S/C10H12N4O2S/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)17-16/h2-6,16H,1H3,(H2,11,14)(H,13,15)/b12-6+

InChIKey

UQLMWIGLOFNQNI-WUXMJOGZSA-N

Compound name

hydroxy N'-[(E)-(4-acetamidophenyl)methylideneamino]carbamimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.0681 Da
Monoisotopic Mass: 0.3
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]+	253.075376	154.7
[M+Na]+	275.057318	159.9
[M-H]-	251.060824	159.0
[M+NH4]+	270.101923	171.2
[M+K]+	291.031258	157.0
[M+H-H2O]+	235.065360	146.6
[M+HCOO]-	297.066301	177.1
[M+CH3COO]-	311.081951	202.0
[M+Na-2H]-	273.042766	157.4
[M]+	252.06755142	154.2
[M]-	252.06864858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.