CID 226437

Nsc16847

Structural Information

Molecular Formula

C₇H₁₂N₂S₇

SMILES

CN(C)C(=S)SSC(=S)SSC(=S)N(C)C

InChI

InChI=1S/C7H12N2S7/c1-8(2)5(10)13-15-7(12)16-14-6(11)9(3)4/h1-4H3

InChIKey

OJNYHWVGCKXALV-UHFFFAOYSA-N

Compound name

(dimethylcarbamothioyldisulfanyl)carbothioylsulfanyl N,N-dimethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 347.90454 Da
Monoisotopic Mass: 3.1
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]+	348.91182	200.2
[M+Na]+	370.89376	201.5
[M-H]-	346.89726	193.3
[M+NH4]+	365.93836	207.4
[M+K]+	386.86770	184.7
[M+H-H2O]+	330.90180	189.8
[M+HCOO]-	392.90274	179.3
[M+CH3COO]-	406.91839	219.8
[M+Na-2H]-	368.87921	198.9
[M]+	347.90399	183.6
[M]-	347.90509	183.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.