CID 383270

Nsc671384

Structural Information

Molecular Formula
C15H22N2O2S
SMILES
C1CCC(CC1)N2C(=O)C(=O)N(C2=S)C3CCCCC3
InChI
InChI=1S/C15H22N2O2S/c18-13-14(19)17(12-9-5-2-6-10-12)15(20)16(13)11-7-3-1-4-8-11/h11-12H,1-10H2
InChIKey
RDIURNOQYBSTCN-UHFFFAOYSA-N
Compound name
1,3-dicyclohexyl-2-sulfanylideneimidazolidine-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1402 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14748 171.6
[M+Na]+ 317.12942 175.7
[M-H]- 293.13292 177.1
[M+NH4]+ 312.17402 186.2
[M+K]+ 333.10336 171.2
[M+H-H2O]+ 277.13746 163.5
[M+HCOO]- 339.13840 179.8
[M+CH3COO]- 353.15405 199.2
[M+Na-2H]- 315.11487 165.3
[M]+ 294.13965 163.8
[M]- 294.14075 163.8
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.