CID 454335

5,5di-4pyridsme hydantoin

Structural Information

Molecular Formula
C15H14N4O2S2
SMILES
C1=CN=CC=C1SCC2(C(=O)NC(=O)N2)CSC3=CC=NC=C3
InChI
InChI=1S/C15H14N4O2S2/c20-13-15(19-14(21)18-13,9-22-11-1-5-16-6-2-11)10-23-12-3-7-17-8-4-12/h1-8H,9-10H2,(H2,18,19,20,21)
InChIKey
GUMLFELGTUQTMW-UHFFFAOYSA-N
Compound name
5,5-bis(pyridin-4-ylsulfanylmethyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

346.05582 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.06310 173.5
[M+Na]+ 369.04504 182.5
[M-H]- 345.04854 175.3
[M+NH4]+ 364.08964 184.5
[M+K]+ 385.01898 174.3
[M+H-H2O]+ 329.05308 165.9
[M+HCOO]- 391.05402 180.0
[M+CH3COO]- 405.06967 182.1
[M+Na-2H]- 367.03049 173.8
[M]+ 346.05527 172.9
[M]- 346.05637 172.9
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.