CID 454339

5bzsme5ohetsme hydantoin

Structural Information

Molecular Formula
C14H18N2O3S2
SMILES
C1=CC=C(C=C1)CSCC2(C(=O)NC(=O)N2)CSCCO
InChI
InChI=1S/C14H18N2O3S2/c17-6-7-20-9-14(12(18)15-13(19)16-14)10-21-8-11-4-2-1-3-5-11/h1-5,17H,6-10H2,(H2,15,16,18,19)
InChIKey
GNMOADKUOBAUPU-UHFFFAOYSA-N
Compound name
5-(benzylsulfanylmethyl)-5-(2-hydroxyethylsulfanylmethyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.0759 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08318 170.2
[M+Na]+ 349.06512 176.7
[M-H]- 325.06862 169.3
[M+NH4]+ 344.10972 183.9
[M+K]+ 365.03906 169.3
[M+H-H2O]+ 309.07316 164.4
[M+HCOO]- 371.07410 176.2
[M+CH3COO]- 385.08975 195.2
[M+Na-2H]- 347.05057 168.7
[M]+ 326.07535 170.2
[M]- 326.07645 170.2
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

No patent data available for this compound.