CID 454331

5,5di-2thienmesme hydantoin

Structural Information

Molecular Formula
C15H16N2O2S4
SMILES
C1=CSC(=C1)CSCC2(C(=O)NC(=O)N2)CSCC3=CC=CS3
InChI
InChI=1S/C15H16N2O2S4/c18-13-15(17-14(19)16-13,9-20-7-11-3-1-5-22-11)10-21-8-12-4-2-6-23-12/h1-6H,7-10H2,(H2,16,17,18,19)
InChIKey
DAFKXHCLLOCJAA-UHFFFAOYSA-N
Compound name
5,5-bis(thiophen-2-ylmethylsulfanylmethyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

384.00946 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.01674 183.1
[M+Na]+ 406.99868 194.3
[M-H]- 383.00218 187.1
[M+NH4]+ 402.04328 199.2
[M+K]+ 422.97262 185.5
[M+H-H2O]+ 367.00672 180.8
[M+HCOO]- 429.00766 184.8
[M+CH3COO]- 443.02331 191.9
[M+Na-2H]- 404.98413 179.7
[M]+ 384.00891 184.2
[M]- 384.01001 184.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe