CID 3062885

3-(4,5-dihydro-1h-imidazol-2-yl)-5-((dimethylamino)methyl)-2-thioxo-4-thiazolidinone hi

Structural Information

Molecular Formula
C9H14N4OS2
SMILES
CN(C)CC1C(=O)N(C(=S)S1)C2=NCCN2
InChI
InChI=1S/C9H14N4OS2/c1-12(2)5-6-7(14)13(9(15)16-6)8-10-3-4-11-8/h6H,3-5H2,1-2H3,(H,10,11)
InChIKey
MLNXHYUNNIPIBF-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1H-imidazol-2-yl)-5-[(dimethylamino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0609 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06818 157.0
[M+Na]+ 281.05012 165.9
[M-H]- 257.05362 160.4
[M+NH4]+ 276.09472 174.5
[M+K]+ 297.02406 162.3
[M+H-H2O]+ 241.05816 150.7
[M+HCOO]- 303.05910 166.6
[M+CH3COO]- 317.07475 193.7
[M+Na-2H]- 279.03557 151.8
[M]+ 258.06035 156.9
[M]- 258.06145 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.