CID 454329

5,5di-2pyridmesme hydantoin

Structural Information

Molecular Formula
C17H18N4O2S2
SMILES
C1=CC=NC(=C1)CSCC2(C(=O)NC(=O)N2)CSCC3=CC=CC=N3
InChI
InChI=1S/C17H18N4O2S2/c22-15-17(21-16(23)20-15,11-24-9-13-5-1-3-7-18-13)12-25-10-14-6-2-4-8-19-14/h1-8H,9-12H2,(H2,20,21,22,23)
InChIKey
YXEBDBSZYQSKCG-UHFFFAOYSA-N
Compound name
5,5-bis(pyridin-2-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

literature stripe

Patent stripe

patents stripe