CID 36603

Endodan

Structural Information

Molecular Formula

C₄H₄N₂S₃

SMILES

C1CN2C(=N1)SSC2=S

InChI

InChI=1S/C4H4N2S3/c7-4-6-2-1-5-3(6)8-9-4/h1-2H2

InChIKey

BFTGQIQVUVTBJU-UHFFFAOYSA-N

Compound name

5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 7
References: 4287
Patents: 175.95366 Da
Monoisotopic Mass: 0.8
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]+	176.96094	132.4
[M+Na]+	198.94288	141.4
[M+NH4]+	193.98748	142.4
[M+K]+	214.91682	133.7
[M-H]-	174.94638	133.7
[M+Na-2H]-	196.92833	133.6
[M]+	175.95311	135.2
[M]-	175.95421	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe