CID 46340

5-cyclohexylbutyl-5-(2-thienyl)hydantoin

Structural Information

Molecular Formula
C17H24N2O2S
SMILES
C1CCC(CC1)CCCCC2(C(=O)NC(=O)N2)C3=CC=CS3
InChI
InChI=1S/C17H24N2O2S/c20-15-17(19-16(21)18-15,14-10-6-12-22-14)11-5-4-9-13-7-2-1-3-8-13/h6,10,12-13H,1-5,7-9,11H2,(H2,18,19,20,21)
InChIKey
GSDZLQXNQAPRHJ-UHFFFAOYSA-N
Compound name
5-(4-cyclohexylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.15585 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.16313 177.3
[M+Na]+ 343.14507 181.8
[M-H]- 319.14857 180.9
[M+NH4]+ 338.18967 193.3
[M+K]+ 359.11901 176.1
[M+H-H2O]+ 303.15311 170.3
[M+HCOO]- 365.15405 187.2
[M+CH3COO]- 379.16970 185.7
[M+Na-2H]- 341.13052 172.5
[M]+ 320.15530 172.3
[M]- 320.15640 172.3
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.