CID 7215

Sulfiram

Structural Information

Molecular Formula

C₁₀H₂₀N₂S₃

SMILES

CCN(CC)C(=S)SC(=S)N(CC)CC

InChI

InChI=1S/C10H20N2S3/c1-5-11(6-2)9(13)15-10(14)12(7-3)8-4/h5-8H2,1-4H3

InChIKey

CTPKSRZFJSJGML-UHFFFAOYSA-N

Compound name

diethylcarbamothioyl N,N-diethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 19
References: 5648
Patents: 264.07886 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]+	265.08614	158.8
[M+Na]+	287.06808	162.3
[M-H]-	263.07158	159.8
[M+NH4]+	282.11268	175.9
[M+K]+	303.04202	158.0
[M+H-H2O]+	247.07612	151.0
[M+HCOO]-	309.07706	163.6
[M+CH3COO]-	323.09271	206.4
[M+Na-2H]-	285.05353	154.7
[M]+	264.07831	160.9
[M]-	264.07941	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe