CID 3062879

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

Structural Information

Molecular Formula
C11H16N4O2S2
SMILES
C1CN=C(N1)N2C(=O)C(SC2=S)CN3CCOCC3
InChI
InChI=1S/C11H16N4O2S2/c16-9-8(7-14-3-5-17-6-4-14)19-11(18)15(9)10-12-1-2-13-10/h8H,1-7H2,(H,12,13)
InChIKey
XXYWFWYZTKUVGD-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1H-imidazol-2-yl)-5-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.07147 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07875 166.7
[M+Na]+ 323.06069 174.5
[M-H]- 299.06419 170.4
[M+NH4]+ 318.10529 179.2
[M+K]+ 339.03463 170.7
[M+H-H2O]+ 283.06873 160.4
[M+HCOO]- 345.06967 170.7
[M+CH3COO]- 359.08532 175.8
[M+Na-2H]- 321.04614 160.1
[M]+ 300.07092 162.9
[M]- 300.07202 162.9
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.