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]+ 295.147476 171.6
[M+Na]+ 317.129418 175.7
[M-H]- 293.132924 177.1
[M+NH4]+ 312.174023 186.2
[M+K]+ 333.103358 171.2
[M+H-H2O]+ 277.137460 163.5
[M+HCOO]- 339.138401 179.8
[M+CH3COO]- 353.154051 199.2
[M+Na-2H]- 315.114866 165.3
[M]+ 294.13965142 163.8
[M]- 294.14074858 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.