CID 454327

5,5di-4pyridmesme hydantoin

Structural Information

Molecular Formula
C17H18N4O2S2
SMILES
C1=CN=CC=C1CSCC2(C(=O)NC(=O)N2)CSCC3=CC=NC=C3
InChI
InChI=1S/C17H18N4O2S2/c22-15-17(21-16(23)20-15,11-24-9-13-1-5-18-6-2-13)12-25-10-14-3-7-19-8-4-14/h1-8H,9-12H2,(H2,20,21,22,23)
InChIKey
PGFKRAPIGHYLOW-UHFFFAOYSA-N
Compound name
5,5-bis(pyridin-4-ylmethylsulfanylmethyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

374.08713 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.09441 180.9
[M+Na]+ 397.07635 188.9
[M-H]- 373.07985 182.2
[M+NH4]+ 392.12095 190.7
[M+K]+ 413.05029 180.3
[M+H-H2O]+ 357.08439 172.9
[M+HCOO]- 419.08533 186.7
[M+CH3COO]- 433.10098 188.6
[M+Na-2H]- 395.06180 180.3
[M]+ 374.08658 180.9
[M]- 374.08768 180.9
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.