CID 3062861

99304-14-0

Structural Information

Molecular Formula
C15H24N4OS2
SMILES
CC1CC(N(C(C1)C)CC2C(=O)N(C(=S)S2)C3=NCCN3)C
InChI
InChI=1S/C15H24N4OS2/c1-9-6-10(2)18(11(3)7-9)8-12-13(20)19(15(21)22-12)14-16-4-5-17-14/h9-12H,4-8H2,1-3H3,(H,16,17)
InChIKey
GBGCKHIHKBAUFI-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1H-imidazol-2-yl)-2-sulfanylidene-5-[(2,4,6-trimethylpiperidin-1-yl)methyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13916 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14644 181.1
[M+Na]+ 363.12838 189.3
[M-H]- 339.13188 184.4
[M+NH4]+ 358.17298 194.1
[M+K]+ 379.10232 183.1
[M+H-H2O]+ 323.13642 174.7
[M+HCOO]- 385.13736 183.9
[M+CH3COO]- 399.15301 189.4
[M+Na-2H]- 361.11383 170.4
[M]+ 340.13861 178.1
[M]- 340.13971 178.1
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.