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]+ 341.146436 181.1
[M+Na]+ 363.128378 189.3
[M-H]- 339.131884 184.4
[M+NH4]+ 358.172983 194.1
[M+K]+ 379.102318 183.1
[M+H-H2O]+ 323.136420 174.7
[M+HCOO]- 385.137361 183.9
[M+CH3COO]- 399.153011 189.4
[M+Na-2H]- 361.113826 170.4
[M]+ 340.13861142 178.1
[M]- 340.13970858 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.