CID 138106323

6-methyl-5,6-dihydro-3h-imidazo[2,1-c][1,2,4]dithiazole-3-thione

Structural Information

Molecular Formula
C5H6N2S3
SMILES
CC1CN2C(=N1)SSC2=S
InChI
InChI=1S/C5H6N2S3/c1-3-2-7-4(6-3)9-10-5(7)8/h3H,2H2,1H3
InChIKey
HBPWLKZHSGCXBC-UHFFFAOYSA-N
Compound name
6-methyl-5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

4
Patents

189.96931 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.976586 135.0
[M+Na]+ 212.958528 147.5
[M-H]- 188.962034 137.4
[M+NH4]+ 208.003133 158.0
[M+K]+ 228.932468 143.5
[M+H-H2O]+ 172.966570 131.7
[M+HCOO]- 234.967511 141.1
[M+CH3COO]- 248.983161 148.2
[M+Na-2H]- 210.943976 132.9
[M]+ 189.96876142 136.2
[M]- 189.96985858 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe