CID 3032491

Azithiram

Structural Information

Molecular Formula

C₆H₁₄N₄S₄

SMILES

CN(C)NC(=S)SSC(=S)NN(C)C

InChI

InChI=1S/C6H14N4S4/c1-9(2)7-5(11)13-14-6(12)8-10(3)4/h1-4H3,(H,7,11)(H,8,12)

InChIKey

ZHIKKPYAYGUYPV-UHFFFAOYSA-N

Compound name

dimethylaminocarbamothioylsulfanyl N-(dimethylamino)carbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4469
Patents: 270.01013 Da
Monoisotopic Mass: 1.8
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]+	271.01741	157.0
[M+Na]+	292.99935	159.4
[M-H]-	269.00285	156.0
[M+NH4]+	288.04395	171.4
[M+K]+	308.97329	152.2
[M+H-H2O]+	253.00739	147.8
[M+HCOO]-	315.00833	157.0
[M+CH3COO]-	329.02398	209.3
[M+Na-2H]-	290.98480	156.1
[M]+	270.00958	153.2
[M]-	270.01068	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe