CID 3062883

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

Structural Information

Molecular Formula
C11H18N4OS2
SMILES
CCN(CC)CC1C(=O)N(C(=S)S1)C2=NCCN2
InChI
InChI=1S/C11H18N4OS2/c1-3-14(4-2)7-8-9(16)15(11(17)18-8)10-12-5-6-13-10/h8H,3-7H2,1-2H3,(H,12,13)
InChIKey
XGTACNSRBZAFSC-UHFFFAOYSA-N
Compound name
5-(diethylaminomethyl)-3-(4,5-dihydro-1H-imidazol-2-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0922 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09948 164.9
[M+Na]+ 309.08142 173.0
[M-H]- 285.08492 168.0
[M+NH4]+ 304.12602 181.3
[M+K]+ 325.05536 168.9
[M+H-H2O]+ 269.08946 158.3
[M+HCOO]- 331.09040 173.9
[M+CH3COO]- 345.10605 199.5
[M+Na-2H]- 307.06687 159.0
[M]+ 286.09165 165.5
[M]- 286.09275 165.5
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.